ChemDoodleWeb.js

//
// ChemDoodle Web Components 9.5.0
//
// https://web.chemdoodle.com
//
// Copyright 2009-2023 iChemLabs, LLC.  All rights reserved.
//
// The ChemDoodle Web Components library is licensed under version 3
// of the GNU GENERAL PUBLIC LICENSE.
//
// You may redistribute it and/or modify it under the terms of the
// GNU General Public License as published by the Free Software Foundation,
// either version 3 of the License, or (at your option) any later version.
//
// As an exception to the GPL, you may distribute this packed form of
// the code without the copy of the GPL license normally required,
// provided you include this license notice and a URL through which
// recipients can access the corresponding unpacked source code. 
//
// This program is distributed in the hope that it will be useful,
// but WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
// GNU General Public License for more details.
//
// ChemDoodle Web Components employs 3rd party libraries under the MIT
// license. For a full list with links to the original source, go to:
// https://web.chemdoodle.com/installation/download/#libraries
//
// Please contact iChemLabs <https://www.ichemlabs.com/contact-us> for
// alternate licensing options.
//
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a[8]+"]"}},l={create:function(a){var f=new d(16);a&&(f[0]=a[0],f[1]=a[1],f[2]=a[2],f[3]=a[3],f[4]=a[4],f[5]=a[5],f[6]=a[6],f[7]=a[7],f[8]=a[8],f[9]=a[9],f[10]=a[10],f[11]=a[11],f[12]=a[12],f[13]=a[13],f[14]=a[14],f[15]=a[15]);return f},createFrom:function(a,b,c,g,h,l,m,v,k,e,u,x,w,r,n,z){var f=new d(16);f[0]=a;f[1]=b;f[2]=c;f[3]=g;f[4]=h;f[5]=l;f[6]=m;f[7]=v;f[8]=k;f[9]=e;f[10]=u;f[11]=x;f[12]=w;f[13]=r;f[14]=n;f[15]=z;return f},set:function(a,b){b[0]=a[0];b[1]=a[1];b[2]=a[2];b[3]=a[3];b[4]=a[4];
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b[12])&&1E-6>Math.abs(a[13]-b[13])&&1E-6>Math.abs(a[14]-b[14])&&1E-6>Math.abs(a[15]-b[15])},identity:function(a){a||(a=l.create());a[0]=1;a[1]=0;a[2]=0;a[3]=0;a[4]=0;a[5]=1;a[6]=0;a[7]=0;a[8]=0;a[9]=0;a[10]=1;a[11]=0;a[12]=0;a[13]=0;a[14]=0;a[15]=1;return a},transpose:function(a,b){if(!b||a===b){b=a[1];var f=a[2],c=a[3],g=a[6],h=a[7],q=a[11];a[1]=a[4];a[2]=a[8];a[3]=a[12];a[4]=b;a[6]=a[9];a[7]=a[13];a[8]=f;a[9]=g;a[11]=a[14];a[12]=c;a[13]=h;a[14]=q;return a}b[0]=a[0];b[1]=a[4];b[2]=a[8];b[3]=a[12];
b[4]=a[1];b[5]=a[5];b[6]=a[9];b[7]=a[13];b[8]=a[2];b[9]=a[6];b[10]=a[10];b[11]=a[14];b[12]=a[3];b[13]=a[7];b[14]=a[11];b[15]=a[15];return b},determinant:function(a){var f=a[0],b=a[1],c=a[2],g=a[3],h=a[4],l=a[5],d=a[6],m=a[7],v=a[8],k=a[9],e=a[10],u=a[11],x=a[12],w=a[13],r=a[14];a=a[15];return x*k*d*g-v*w*d*g-x*l*e*g+h*w*e*g+v*l*r*g-h*k*r*g-x*k*c*m+v*w*c*m+x*b*e*m-f*w*e*m-v*b*r*m+f*k*r*m+x*l*c*u-h*w*c*u-x*b*d*u+f*w*d*u+h*b*r*u-f*l*r*u-v*l*c*a+h*k*c*a+v*b*d*a-f*k*d*a-h*b*e*a+f*l*e*a},inverse:function(a,
b){b||(b=a);var f=a[0],c=a[1],g=a[2],h=a[3],l=a[4],q=a[5],d=a[6],m=a[7],v=a[8],k=a[9],e=a[10],u=a[11],x=a[12],w=a[13],r=a[14];a=a[15];var n=f*q-c*l,z=f*d-g*l,y=f*m-h*l,p=c*d-g*q,R=c*m-h*q,U=g*m-h*d,ca=v*w-k*x,ia=v*r-e*x,aa=v*a-u*x,da=k*r-e*w,na=k*a-u*w,ea=e*a-u*r,I=n*ea-z*na+y*da+p*aa-R*ia+U*ca;if(!I)return null;I=1/I;b[0]=(q*ea-d*na+m*da)*I;b[1]=(-c*ea+g*na-h*da)*I;b[2]=(w*U-r*R+a*p)*I;b[3]=(-k*U+e*R-u*p)*I;b[4]=(-l*ea+d*aa-m*ia)*I;b[5]=(f*ea-g*aa+h*ia)*I;b[6]=(-x*U+r*y-a*z)*I;b[7]=(v*U-e*y+u*z)*
I;b[8]=(l*na-q*aa+m*ca)*I;b[9]=(-f*na+c*aa-h*ca)*I;b[10]=(x*R-w*y+a*n)*I;b[11]=(-v*R+k*y-u*n)*I;b[12]=(-l*da+q*ia-d*ca)*I;b[13]=(f*da-c*ia+g*ca)*I;b[14]=(-x*p+w*z-r*n)*I;b[15]=(v*p-k*z+e*n)*I;return b},toRotationMat:function(a,b){b||(b=l.create());b[0]=a[0];b[1]=a[1];b[2]=a[2];b[3]=a[3];b[4]=a[4];b[5]=a[5];b[6]=a[6];b[7]=a[7];b[8]=a[8];b[9]=a[9];b[10]=a[10];b[11]=a[11];b[12]=0;b[13]=0;b[14]=0;b[15]=1;return b},toMat3:function(a,b){b||(b=v.create());b[0]=a[0];b[1]=a[1];b[2]=a[2];b[3]=a[4];b[4]=a[5];
b[5]=a[6];b[6]=a[8];b[7]=a[9];b[8]=a[10];return b},toInverseMat3:function(a,b){var f=a[0],c=a[1],g=a[2],h=a[4],l=a[5],d=a[6],q=a[8],m=a[9];a=a[10];var k=a*l-d*m,e=-a*h+d*q,u=m*h-l*q,x=f*k+c*e+g*u;if(!x)return null;x=1/x;b||(b=v.create());b[0]=k*x;b[1]=(-a*c+g*m)*x;b[2]=(d*c-g*l)*x;b[3]=e*x;b[4]=(a*f-g*q)*x;b[5]=(-d*f+g*h)*x;b[6]=u*x;b[7]=(-m*f+c*q)*x;b[8]=(l*f-c*h)*x;return b},multiply:function(a,b,c){c||(c=a);var f=a[0],g=a[1],h=a[2],l=a[3],d=a[4],m=a[5],q=a[6],v=a[7],k=a[8],e=a[9],u=a[10],x=a[11],
w=a[12],r=a[13],n=a[14];a=a[15];var A=b[0],z=b[1],y=b[2],p=b[3];c[0]=A*f+z*d+y*k+p*w;c[1]=A*g+z*m+y*e+p*r;c[2]=A*h+z*q+y*u+p*n;c[3]=A*l+z*v+y*x+p*a;A=b[4];z=b[5];y=b[6];p=b[7];c[4]=A*f+z*d+y*k+p*w;c[5]=A*g+z*m+y*e+p*r;c[6]=A*h+z*q+y*u+p*n;c[7]=A*l+z*v+y*x+p*a;A=b[8];z=b[9];y=b[10];p=b[11];c[8]=A*f+z*d+y*k+p*w;c[9]=A*g+z*m+y*e+p*r;c[10]=A*h+z*q+y*u+p*n;c[11]=A*l+z*v+y*x+p*a;A=b[12];z=b[13];y=b[14];p=b[15];c[12]=A*f+z*d+y*k+p*w;c[13]=A*g+z*m+y*e+p*r;c[14]=A*h+z*q+y*u+p*n;c[15]=A*l+z*v+y*x+p*a;return c},
multiplyVec3:function(a,b,c){c||(c=b);var f=b[0],g=b[1];b=b[2];c[0]=a[0]*f+a[4]*g+a[8]*b+a[12];c[1]=a[1]*f+a[5]*g+a[9]*b+a[13];c[2]=a[2]*f+a[6]*g+a[10]*b+a[14];return c},multiplyVec4:function(a,b,c){c||(c=b);var f=b[0],g=b[1],h=b[2];b=b[3];c[0]=a[0]*f+a[4]*g+a[8]*h+a[12]*b;c[1]=a[1]*f+a[5]*g+a[9]*h+a[13]*b;c[2]=a[2]*f+a[6]*g+a[10]*h+a[14]*b;c[3]=a[3]*f+a[7]*g+a[11]*h+a[15]*b;return c},translate:function(a,b,c){var f=b[0],g=b[1];b=b[2];if(!c||a===c)return a[12]=a[0]*f+a[4]*g+a[8]*b+a[12],a[13]=a[1]*
f+a[5]*g+a[9]*b+a[13],a[14]=a[2]*f+a[6]*g+a[10]*b+a[14],a[15]=a[3]*f+a[7]*g+a[11]*b+a[15],a;var h=a[0];var l=a[1];var d=a[2];var m=a[3];var q=a[4];var v=a[5];var k=a[6];var e=a[7];var u=a[8];var x=a[9];var w=a[10];var r=a[11];c[0]=h;c[1]=l;c[2]=d;c[3]=m;c[4]=q;c[5]=v;c[6]=k;c[7]=e;c[8]=u;c[9]=x;c[10]=w;c[11]=r;c[12]=h*f+q*g+u*b+a[12];c[13]=l*f+v*g+x*b+a[13];c[14]=d*f+k*g+w*b+a[14];c[15]=m*f+e*g+r*b+a[15];return c},scale:function(a,b,c){var f=b[0],g=b[1];b=b[2];if(!c||a===c)return a[0]*=f,a[1]*=f,
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a[4];var u=a[5];var x=a[6];var w=a[7];var r=a[8];var n=a[9];var z=a[10];var A=a[11];var y=f*f*q+m;var p=h*f*q+c*d;var C=c*f*q-h*d;var ca=f*h*q-c*d;var ia=h*h*q+m;var aa=c*h*q+f*d;var da=f*c*q+h*d;f=h*c*q-f*d;h=c*c*q+m;g?a!==g&&(g[12]=a[12],g[13]=a[13],g[14]=a[14],g[15]=a[15]):g=a;g[0]=b*y+e*p+r*C;g[1]=l*y+u*p+n*C;g[2]=v*y+x*p+z*C;g[3]=k*y+w*p+A*C;g[4]=b*ca+e*ia+r*aa;g[5]=l*ca+u*ia+n*aa;g[6]=v*ca+x*ia+z*aa;g[7]=k*ca+w*ia+A*aa;g[8]=b*da+e*f+r*h;g[9]=l*da+u*f+n*h;g[10]=v*da+x*f+z*h;g[11]=k*da+w*f+A*
h;return g},rotateX:function(a,b,c){var f=Math.sin(b);b=Math.cos(b);var g=a[4],h=a[5],l=a[6],d=a[7],m=a[8],q=a[9],v=a[10],k=a[11];c?a!==c&&(c[0]=a[0],c[1]=a[1],c[2]=a[2],c[3]=a[3],c[12]=a[12],c[13]=a[13],c[14]=a[14],c[15]=a[15]):c=a;c[4]=g*b+m*f;c[5]=h*b+q*f;c[6]=l*b+v*f;c[7]=d*b+k*f;c[8]=g*-f+m*b;c[9]=h*-f+q*b;c[10]=l*-f+v*b;c[11]=d*-f+k*b;return c},rotateY:function(a,b,c){var f=Math.sin(b);b=Math.cos(b);var g=a[0],h=a[1],l=a[2],d=a[3],m=a[8],q=a[9],v=a[10],k=a[11];c?a!==c&&(c[4]=a[4],c[5]=a[5],
c[6]=a[6],c[7]=a[7],c[12]=a[12],c[13]=a[13],c[14]=a[14],c[15]=a[15]):c=a;c[0]=g*b+m*-f;c[1]=h*b+q*-f;c[2]=l*b+v*-f;c[3]=d*b+k*-f;c[8]=g*f+m*b;c[9]=h*f+q*b;c[10]=l*f+v*b;c[11]=d*f+k*b;return c},rotateZ:function(a,b,c){var f=Math.sin(b);b=Math.cos(b);var g=a[0],h=a[1],l=a[2],d=a[3],m=a[4],q=a[5],v=a[6],k=a[7];c?a!==c&&(c[8]=a[8],c[9]=a[9],c[10]=a[10],c[11]=a[11],c[12]=a[12],c[13]=a[13],c[14]=a[14],c[15]=a[15]):c=a;c[0]=g*b+m*f;c[1]=h*b+q*f;c[2]=l*b+v*f;c[3]=d*b+k*f;c[4]=g*-f+m*b;c[5]=h*-f+q*b;c[6]=
l*-f+v*b;c[7]=d*-f+k*b;return c},frustum:function(a,b,c,g,h,d,m){m||(m=l.create());var f=b-a,q=g-c,v=d-h;m[0]=2*h/f;m[1]=0;m[2]=0;m[3]=0;m[4]=0;m[5]=2*h/q;m[6]=0;m[7]=0;m[8]=(b+a)/f;m[9]=(g+c)/q;m[10]=-(d+h)/v;m[11]=-1;m[12]=0;m[13]=0;m[14]=-(d*h*2)/v;m[15]=0;return m},perspective:function(a,b,c,g,h){a=c*Math.tan(a*Math.PI/360);b*=a;return l.frustum(-b,b,-a,a,c,g,h)},ortho:function(a,b,c,g,h,d,m){m||(m=l.create());var f=b-a,q=g-c,v=d-h;m[0]=2/f;m[1]=0;m[2]=0;m[3]=0;m[4]=0;m[5]=2/q;m[6]=0;m[7]=0;m[8]=
0;m[9]=0;m[10]=-2/v;m[11]=0;m[12]=-(a+b)/f;m[13]=-(g+c)/q;m[14]=-(d+h)/v;m[15]=1;return m},lookAt:function(a,b,c,g){g||(g=l.create());var f=a[0],h=a[1];a=a[2];var d=c[0];var m=c[1];var q=c[2];var v=b[0];c=b[1];var k=b[2];if(f===v&&h===c&&a===k)return l.identity(g);b=f-v;c=h-c;v=a-k;var e=1/Math.sqrt(b*b+c*c+v*v);b*=e;c*=e;v*=e;k=m*v-q*c;q=q*b-d*v;d=d*c-m*b;(e=Math.sqrt(k*k+q*q+d*d))?(e=1/e,k*=e,q*=e,d*=e):d=q=k=0;m=c*d-v*q;var u=v*k-b*d;var x=b*q-c*k;(e=Math.sqrt(m*m+u*u+x*x))?(e=1/e,m*=e,u*=e,x*=
e):x=u=m=0;g[0]=k;g[1]=m;g[2]=b;g[3]=0;g[4]=q;g[5]=u;g[6]=c;g[7]=0;g[8]=d;g[9]=x;g[10]=v;g[11]=0;g[12]=-(k*f+q*h+d*a);g[13]=-(m*f+u*h+x*a);g[14]=-(b*f+c*h+v*a);g[15]=1;return g},fromRotationTranslation:function(a,b,c){c||(c=l.create());var f=a[0],g=a[1],h=a[2],d=a[3],m=f+f,q=g+g,v=h+h;a=f*m;var k=f*q;f*=v;var e=g*q;g*=v;h*=v;m*=d;q*=d;d*=v;c[0]=1-(e+h);c[1]=k+d;c[2]=f-q;c[3]=0;c[4]=k-d;c[5]=1-(a+h);c[6]=g+m;c[7]=0;c[8]=f+q;c[9]=g-m;c[10]=1-(a+e);c[11]=0;c[12]=b[0];c[13]=b[1];c[14]=b[2];c[15]=1;return c},
str:function(a){return"["+a[0]+", "+a[1]+", "+a[2]+", "+a[3]+", "+a[4]+", "+a[5]+", "+a[6]+", "+a[7]+", "+a[8]+", "+a[9]+", "+a[10]+", "+a[11]+", "+a[12]+", "+a[13]+", "+a[14]+", "+a[15]+"]"}},x={create:function(a){var b=new d(4);a?(b[0]=a[0],b[1]=a[1],b[2]=a[2],b[3]=a[3]):b[0]=b[1]=b[2]=b[3]=0;return b},createFrom:function(a,b,c,g){var f=new d(4);f[0]=a;f[1]=b;f[2]=c;f[3]=g;return f},set:function(a,b){b[0]=a[0];b[1]=a[1];b[2]=a[2];b[3]=a[3];return b},equal:function(a,b){return a===b||1E-6>Math.abs(a[0]-
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0);e.Rn=new n("Rn","Radon",86,!1,"#428296",1.5,2.2,0,0);e.Fr=new n("Fr","Francium",87,!1,"#420066",2.6,3.48,0,0);e.Ra=new n("Ra","Radium",88,!1,"#007D00",2.21,2.83,0,0);e.Ac=new n("Ac","Actinium",89,!1,"#70ABFA",2.15,0,0,0);e.Th=new n("Th","Thorium",90,!1,"#00BAFF",2.06,0,0,232);e.Pa=new n("Pa","Protactinium",91,!1,"#00A1FF",2,0,0,231);e.U=new n("U","Uranium",92,!1,"#008FFF",1.96,1.86,0,238);e.Np=new n("Np","Neptunium",93,!1,"#0080FF",1.9,0,0,0);e.Pu=new n("Pu","Plutonium",94,!1,"#006BFF",1.87,0,
0,0);e.Am=new n("Am","Americium",95,!1,"#545CF2",1.8,0,0,0);e.Cm=new n("Cm","Curium",96,!1,"#785CE3",1.69,0,0,0);e.Bk=new n("Bk","Berkelium",97,!1,"#8A4FE3",0,0,0,0);e.Cf=new n("Cf","Californium",98,!1,"#A136D4",0,0,0,0);e.Es=new n("Es","Einsteinium",99,!1,"#B31FD4",0,0,0,0);e.Fm=new n("Fm","Fermium",100,!1,"#B31FBA",0,0,0,0);e.Md=new n("Md","Mendelevium",101,!1,"#B30DA6",0,0,0,0);e.No=new n("No","Nobelium",102,!1,"#BD0D87",0,0,0,0);e.Lr=new n("Lr","Lawrencium",103,!1,"#C70066",0,0,0,0);e.Rf=new n("Rf",
"Rutherfordium",104,!1,"#CC0059",0,0,0,0);e.Db=new n("Db","Dubnium",105,!1,"#D1004F",0,0,0,0);e.Sg=new n("Sg","Seaborgium",106,!1,"#D90045",0,0,0,0);e.Bh=new n("Bh","Bohrium",107,!1,"#E00038",0,0,0,0);e.Hs=new n("Hs","Hassium",108,!1,"#E6002E",0,0,0,0);e.Mt=new n("Mt","Meitnerium",109,!1,"#EB0026",0,0,0,0);e.Ds=new n("Ds","Darmstadtium",110,!1,"#000000",0,0,0,0);e.Rg=new n("Rg","Roentgenium",111,!1,"#000000",0,0,0,0);e.Cn=new n("Cn","Copernicium",112,!1,"#000000",0,0,0,0);e.Nh=new n("Nh","Nihonium",
113,!1,"#000000",0,0,0,0);e.Fl=new n("Fl","Flerovium",114,!1,"#000000",0,0,0,0);e.Mc=new n("Mc","Moscovium",115,!1,"#000000",0,0,0,0);e.Lv=new n("Lv","Livermorium",116,!1,"#000000",0,0,0,0);e.Ts=new n("Ts","Tennessine",117,!1,"#000000",0,0,0,0);e.Og=new n("Og","Oganesson",118,!1,"#000000",0,0,0,0);e.H.pymolColor="#E6E6E6";e.C.pymolColor="#33FF33";e.N.pymolColor="#3333FF";e.O.pymolColor="#FF4D4D";e.F.pymolColor="#B3FFFF";e.S.pymolColor="#E6C640";return e}(ChemDoodle.SYMBOLS);
ChemDoodle.RESIDUE=function(e){function p(e,r,d,k,b,c){this.symbol=e;this.name=r;this.polar=d;this.aminoColor=k;this.shapelyColor=b;this.acidity=c}e=[];e.Ala=new p("Ala","Alanine",!1,"#C8C8C8","#8CFF8C",0);e.Arg=new p("Arg","Arginine",!0,"#145AFF","#00007C",1);e.Asn=new p("Asn","Asparagine",!0,"#00DCDC","#FF7C70",0);e.Asp=new p("Asp","Aspartic Acid",!0,"#E60A0A","#A00042",-1);e.Cys=new p("Cys","Cysteine",!0,"#E6E600","#FFFF70",0);e.Gln=new p("Gln","Glutamine",!0,"#00DCDC","#FF4C4C",0);e.Glu=new p("Glu",
"Glutamic Acid",!0,"#E60A0A","#660000",-1);e.Gly=new p("Gly","Glycine",!1,"#EBEBEB","#FFFFFF",0);e.His=new p("His","Histidine",!0,"#8282D2","#7070FF",1);e.Ile=new p("Ile","Isoleucine",!1,"#0F820F","#004C00",0);e.Leu=new p("Leu","Leucine",!1,"#0F820F","#455E45",0);e.Lys=new p("Lys","Lysine",!0,"#145AFF","#4747B8",1);e.Met=new p("Met","Methionine",!1,"#E6E600","#B8A042",0);e.Phe=new p("Phe","Phenylalanine",!1,"#3232AA","#534C52",0);e.Pro=new p("Pro","Proline",!1,"#DC9682","#525252",0);e.Ser=new p("Ser",
"Serine",!0,"#FA9600","#FF7042",0);e.Thr=new p("Thr","Threonine",!0,"#FA9600","#B84C00",0);e.Trp=new p("Trp","Tryptophan",!0,"#B45AB4","#4F4600",0);e.Tyr=new p("Tyr","Tyrosine",!0,"#3232AA","#8C704C",0);e.Val=new p("Val","Valine",!1,"#0F820F","#FF8CFF",0);e.Asx=new p("Asx","Asparagine/Aspartic Acid",!0,"#FF69B4","#FF00FF",0);e.Glx=new p("Glx","Glutamine/Glutamic Acid",!0,"#FF69B4","#FF00FF",0);e["*"]=new p("*","Other",!1,"#BEA06E","#FF00FF",0);e.A=new p("A","Adenine",!1,"#BEA06E","#A0A0FF",0);e.G=
new p("G","Guanine",!1,"#BEA06E","#FF7070",0);e.I=new p("I","",!1,"#BEA06E","#80FFFF",0);e.C=new p("C","Cytosine",!1,"#BEA06E","#FF8C4B",0);e.T=new p("T","Thymine",!1,"#BEA06E","#A0FFA0",0);e.U=new p("U","Uracil",!1,"#BEA06E","#FF8080",0);return e}();
(function(e,p){e.Queue=function(){this.queue=[]};e=e.Queue.prototype;e.queueSpace=0;e.getSize=function(){return this.queue.length-this.queueSpace};e.isEmpty=function(){return 0===this.queue.length};e.enqueue=function(e){this.queue.push(e)};e.dequeue=function(){let e;this.queue.length&&(e=this.queue[this.queueSpace],2*++this.queueSpace>=this.queue.length&&(this.queue=this.queue.slice(this.queueSpace),this.queueSpace=0));return e};e.getOldestElement=function(){let e;this.queue.length&&(e=this.queue[this.queueSpace]);
return e}})(ChemDoodle.structures);
(function(e,p,n){e.Point=function(e,d){this.x=e?e:0;this.y=d?d:0};e=e.Point.prototype;e.sub=function(e){this.x-=e.x;this.y-=e.y};e.add=function(e){this.x+=e.x;this.y+=e.y};e.distance=function(e){let d=e.x-this.x;e=e.y-this.y;return p.sqrt(d*d+e*e)};e.angleForStupidCanvasArcs=function(e){var d=e.x-this.x;e=e.y-this.y;for(d=0===d?0===e?0:0<e?p.PI/2:3*p.PI/2:0===e?0<d?0:p.PI:0>d?p.atan(e/d)+p.PI:0>e?p.atan(e/d)+2*p.PI:p.atan(e/d);0>d;)d+=2*p.PI;return d%=2*p.PI};e.angle=function(e){var d=e.x-this.x;
e=this.y-e.y;for(d=0===d?0===e?0:0<e?p.PI/2:3*p.PI/2:0===e?0<d?0:p.PI:0>d?p.atan(e/d)+p.PI:0>e?p.atan(e/d)+2*p.PI:p.atan(e/d);0>d;)d+=2*p.PI;return d%=2*p.PI}})(ChemDoodle.structures,Math);
(function(e,p,n,r){let d=/[ ,]+/,k=/\-+/,b=["Helvetica","Arial","Dialog"];p.Query=function(b){this.type=b;this.elements={v:[],not:!1};this.saturation=this.hydrogens=this.connectivityNoH=this.connectivity=this.chirality=this.charge=r;this.orders={v:[],not:!1};this.cache=this.ringCount=this.aromatic=this.stereo=r};p.Query.TYPE_ATOM=0;p.Query.TYPE_BOND=1;n=p.Query.prototype;n.parseRange=function(b){let c=[];b=b.split(d);for(let h=0,d=b.length;h<d;h++){var a=b[h],g=!1,m=!1;"-"===a.charAt(0)&&(g=!0,a=
a.substring(1));-1!=a.indexOf("--")&&(m=!0);-1!=a.indexOf("-")?(a=a.split(k),g={x:parseInt(a[0])*(g?-1:1),y:parseInt(a[1])*(m?-1:1)},g.y<g.x&&(m=g.y,g.y=g.x,g.x=m),c.push(g)):c.push({x:parseInt(a)*(g?-1:1)})}return c};n.draw=function(c,h,a){this.cache||(this.cache=this.toString());let g=this.cache,d=r;var v=g.indexOf("(");-1!=v&&(g=this.cache.substring(0,v),d=this.cache.substring(v,this.cache.length));c.textAlign="center";c.textBaseline="middle";c.font=e.getFontString(12,b,!0,!1);v=c.measureText(g).width;
c.fillStyle=h.backgroundColor;c.fillRect(a.x-v/2,a.y-6,v,12);c.fillStyle="black";c.fillText(g,a.x,a.y);d&&(c.font=e.getFontString(10,b,!1,!0),v=c.measureText(d).width,c.fillStyle=h.backgroundColor,c.fillRect(a.x-v/2,a.y+6,v,11),c.fillStyle="black",c.fillText(d,a.x,a.y+11))};n.outputRange=function(b){let c=!1,a=[];for(let g=0,h=b.length;g<h;g++){c&&a.push(",");c=!0;let h=b[g];h.y?(a.push(h.x),a.push("-"),a.push(h.y)):a.push(h.x)}return a.join("")};n.toString=function(){let b=[],h=[];this.type===p.Query.TYPE_ATOM?
(this.elements&&0!==this.elements.v.length?(this.elements.not&&b.push("!"),b.push("["),b.push(this.elements.v.join(",")),b.push("]")):b.push("[a]"),this.chirality&&h.push((this.chirality.not?"!":"")+"@\x3d"+this.chirality.v),this.aromatic&&h.push((this.aromatic.not?"!":"")+"A"),this.charge&&h.push((this.charge.not?"!":"")+"C\x3d"+this.outputRange(this.charge.v)),this.hydrogens&&h.push((this.hydrogens.not?"!":"")+"H\x3d"+this.outputRange(this.hydrogens.v)),this.ringCount&&h.push((this.ringCount.not?
"!":"")+"R\x3d"+this.outputRange(this.ringCount.v)),this.saturation&&h.push((this.saturation.not?"!":"")+"S"),this.connectivity&&h.push((this.connectivity.not?"!":"")+"X\x3d"+this.outputRange(this.connectivity.v)),this.connectivityNoH&&h.push((this.connectivityNoH.not?"!":"")+"x\x3d"+this.outputRange(this.connectivityNoH.v))):this.type===p.Query.TYPE_BOND&&(this.orders&&0!==this.orders.v.length?(this.orders.not&&b.push("!"),b.push("["),b.push(this.orders.v.join(",")),b.push("]")):b.push("[a]"),this.stereo&&
h.push((this.stereo.not?"!":"")+"@\x3d"+this.stereo.v),this.aromatic&&h.push((this.aromatic.not?"!":"")+"A"),this.ringCount&&h.push((this.ringCount.not?"!":"")+"R\x3d"+this.outputRange(this.ringCount.v)));0<h.length&&(b.push("("),b.push(h.join(",")),b.push(")"));return b.join("")}})(ChemDoodle.extensions,ChemDoodle.structures,Math);
(function(e,p,n,r,d,k,b){let c=/\s+/g;r.Atom=function(a,b,c,h){this.label=a?a.trim():"C";this.x=b?b:0;this.y=c?c:0;this.z=h?h:0;this.enhancedStereo={type:r.Atom.ESTEREO_ABSOLUTE,group:1};this.pid=r.PID++};r.Atom.ESTEREO_ABSOLUTE="abs";r.Atom.ESTEREO_OR="or";r.Atom.ESTEREO_AND="\x26";let h=r.Atom.prototype=new r.Point(0,0);h.charge=0;h.numLonePair=0;h.numRadical=0;h.mass=-1;h.implicitH=-1;h.coordinationNumber=0;h.bondNumber=0;h.angleOfLeastInterference=0;h.isHidden=!1;h.altLabel=b;h.isLone=!1;h.isHover=
!1;h.isSelected=!1;h.add3D=function(a){this.x+=a.x;this.y+=a.y;this.z+=a.z};h.sub3D=function(a){this.x-=a.x;this.y-=a.y;this.z-=a.z};h.distance3D=function(a){let b=a.x-this.x,c=a.y-this.y;a=a.z-this.z;return d.sqrt(b*b+c*c+a*a)};h.draw=function(a,g){if(!this.dontDraw){if(this.isLassoed){var h=a.createRadialGradient(this.x-1,this.y-1,0,this.x,this.y,7);h.addColorStop(0,"rgba(212, 99, 0, 0)");h.addColorStop(.7,"rgba(212, 99, 0, 0.8)");a.fillStyle=h;a.beginPath();a.arc(this.x,this.y,5,0,2*d.PI,!1);a.fill()}if(!this.query){this.textBounds=
[];this.styles&&(g=this.styles);var v=p.getFontString(g.atoms_font_size_2D,g.atoms_font_families_2D,g.atoms_font_bold_2D,g.atoms_font_italic_2D);a.font=v;a.fillStyle=this.getElementColor(g.atoms_useJMOLColors,g.atoms_usePYMOLColors,g.atoms_color,2);"H"===this.label&&g.atoms_HBlack_2D&&(a.fillStyle="black");this.error&&(a.fillStyle=g.colorError);h=this.isLabelVisible(g);if(this.isLone&&!h||g.atoms_circles_2D)this.isLone&&(a.fillStyle="#909090"),a.beginPath(),a.arc(this.x,this.y,g.atoms_circleDiameter_2D/
2,0,2*d.PI,!1),a.fill(),0<g.atoms_circleBorderWidth_2D&&(a.lineWidth=g.atoms_circleBorderWidth_2D,a.strokeStyle="black",a.stroke());else if(h)if(a.textAlign="center",a.textBaseline="middle",this.altLabel!==b){a.fillText(this.altLabel,this.x,this.y);var l=a.measureText(this.altLabel).width;this.textBounds.push({x:this.x-l/2,y:this.y-g.atoms_font_size_2D/2+1,w:l,h:g.atoms_font_size_2D-2})}else if(e[this.label]){a.fillText(this.label,this.x,this.y);var k=a.measureText(this.label).width;this.textBounds.push({x:this.x-
k/2,y:this.y-g.atoms_font_size_2D/2+1,w:k,h:g.atoms_font_size_2D-2});var u=0;-1!==this.mass&&(l=a.font,a.font=p.getFontString(.7*g.atoms_font_size_2D,g.atoms_font_families_2D,g.atoms_font_bold_2D,g.atoms_font_italic_2D),u=a.measureText(this.mass).width,a.textAlign="right",a.fillText(this.mass,this.x-k/2-1,this.y-g.atoms_font_size_2D/2+1),this.textBounds.push({x:this.x-k/2-u-.5,y:this.y-1.7*g.atoms_font_size_2D/2+1,w:u,h:g.atoms_font_size_2D/2-1}),a.font=l,a.textAlign="center");l=k/2;var w=this.getImplicitHydrogenCount();
if(g.atoms_implicitHydrogens_2D&&0<w){var z=0;var y=a.measureText("H").width;let b=!0;if(1<w){let c=k/2+y/2,f=0,h=p.getFontString(.8*g.atoms_font_size_2D,g.atoms_font_families_2D,g.atoms_font_bold_2D,g.atoms_font_italic_2D);a.font=h;let m=a.measureText(w).width;1===this.bondNumber?this.angleOfLeastInterference>d.PI/2&&this.angleOfLeastInterference<3*d.PI/2&&(c=-k/2-m-y/2-u/2,b=!1,z=d.PI):this.angleOfLeastInterference<=d.PI/4||(this.angleOfLeastInterference<3*d.PI/4?(c=0,f=.9*-g.atoms_font_size_2D,
0!==this.charge&&(f-=.3*g.atoms_font_size_2D),b=!1,z=d.PI/2):this.angleOfLeastInterference<=5*d.PI/4?(c=-k/2-m-y/2-u/2,b=!1,z=d.PI):this.angleOfLeastInterference<7*d.PI/4&&(c=0,f=.9*g.atoms_font_size_2D,b=!1,z=3*d.PI/2));a.font=v;a.fillText("H",this.x+c,this.y+f);a.font=h;a.fillText(w,this.x+c+y/2+m/2,this.y+f+.3*g.atoms_font_size_2D);this.textBounds.push({x:this.x+c-y/2,y:this.y+f-g.atoms_font_size_2D/2+1,w:y,h:g.atoms_font_size_2D-2});this.textBounds.push({x:this.x+c+y/2,y:this.y+f+.3*g.atoms_font_size_2D-
g.atoms_font_size_2D/2+1,w:m,h:.8*g.atoms_font_size_2D-2})}else v=k/2+y/2,w=0,1===this.bondNumber?this.angleOfLeastInterference>d.PI/2&&this.angleOfLeastInterference<3*d.PI/2&&(v=-k/2-y/2-u/2,b=!1,z=d.PI):this.angleOfLeastInterference<=d.PI/4||(this.angleOfLeastInterference<3*d.PI/4?(v=0,w=.9*-g.atoms_font_size_2D,b=!1,z=d.PI/2):this.angleOfLeastInterference<=5*d.PI/4?(v=-k/2-y/2-u/2,b=!1,z=d.PI):this.angleOfLeastInterference<7*d.PI/4&&(v=0,w=.9*g.atoms_font_size_2D,b=!1,z=3*d.PI/2)),a.fillText("H",
this.x+v,this.y+w),this.textBounds.push({x:this.x+v-y/2,y:this.y+w-g.atoms_font_size_2D/2+1,w:y,h:g.atoms_font_size_2D-2});b&&(l+=y)}0!==this.charge&&(k=this.charge.toFixed(0),k="1"===k?"+":"-1"===k?"\u2013":k.startsWith("-")?k.substring(1)+"\u2013":k+"+",u=a.measureText(k).width,l+=u/2,a.textAlign="center",a.textBaseline="middle",a.font=p.getFontString(d.floor(.8*g.atoms_font_size_2D),g.atoms_font_families_2D,g.atoms_font_bold_2D,g.atoms_font_italic_2D),a.fillText(k,this.x+l-1,this.y-g.atoms_font_size_2D/
2+1),this.textBounds.push({x:this.x+l-u/2-1,y:this.y-1.8*g.atoms_font_size_2D/2+5,w:u,h:g.atoms_font_size_2D/2-1}))}else r.CondensedLabel?this.label.match(c)?(a.textAlign="left",this.error&&(a.fillStyle=g.colorError),a.fillText(this.label,this.x,this.y),l=a.measureText(this.label).width,this.textBounds.push({x:this.x+1,y:this.y-g.atoms_font_size_2D/2+1,w:l,h:g.atoms_font_size_2D-2})):(this.condensed&&this.condensed.text===this.label||(this.condensed=new r.CondensedLabel(this,this.label)),this.condensed.draw(a,
g)):(a.fillText(this.label,this.x,this.y),l=a.measureText(this.label).width,this.textBounds.push({x:this.x-l/2,y:this.y-g.atoms_font_size_2D/2+1,w:l,h:g.atoms_font_size_2D-2}));l=[];for(k=0;k<this.numLonePair;k++)l.push({t:2});for(k=0;k<this.numRadical;k++)l.push({t:1});this.enhancedStereo.type!==r.Atom.ESTEREO_ABSOLUTE&&l.push(this.enhancedStereo);if(0<l.length)if(a.fillStyle="black",a.font=p.getFontString(.8*g.atoms_font_size_2D,g.atoms_font_families_2D,g.atoms_font_bold_2D,g.atoms_font_italic_2D),
a.textAlign="center",a.textBaseline="middle",u=this.angles.slice(0),k=this.angleOfLeastInterference,y=this.largestAngle,z!==b&&(u.push(z),u.sort(function(a,b){return a-b}),y=n.angleBetweenLargest(u),k=y.angle%(2*d.PI),y=y.largest),z===b&&d.abs(y-2*d.PI/u.length)<d.PI/60){u=d.ceil(l.length/u.length);for(let b=0,c=l.length;b<c;b+=u,k+=y)this.drawAttribute(a,g,l.slice(b,d.min(l.length,b+u)),k,y,z,h)}else this.drawAttribute(a,g,l,k,y,z,h)}}};h.drawAttribute=function(a,c,h,e,l,k,u){k=l/(h.length+(0===
this.bonds.length&&k===b?0:1));e=e-l/2+k;for(l=0;l<h.length;l++){var g=h[l],m=e+l*k,v=c.atoms_lonePairDistance_2D;u&&g.type!==b&&(v+=4);let f=this.x+Math.cos(m)*v;v=this.y-Math.sin(m)*v;g.type!==b?a.fillText(g.type+g.group,f,v):2===g.t?(m+=Math.PI/2,g=Math.cos(m)*c.atoms_lonePairSpread_2D/2,m=-Math.sin(m)*c.atoms_lonePairSpread_2D/2,a.beginPath(),a.arc(f+g,v+m,c.atoms_lonePairDiameter_2D,0,2*d.PI,!1),a.fill(),a.beginPath(),a.arc(f-g,v-m,c.atoms_lonePairDiameter_2D,0,2*d.PI,!1),a.fill()):1===g.t&&
(a.beginPath(),a.arc(f,v,c.atoms_lonePairDiameter_2D,0,2*d.PI,!1),a.fill())}};h.drawDecorations=function(a,b){if(this.isHover||this.isSelected)a.strokeStyle=this.isHover?b.colorHover:b.colorSelect,a.lineWidth=1.2,a.beginPath(),a.arc(this.x,this.y,this.isHover?7:15,0,2*d.PI,!1),a.stroke();this.isOverlap&&(a.strokeStyle=b.colorError,a.lineWidth=1.2,a.beginPath(),a.arc(this.x,this.y,7,0,2*d.PI,!1),a.stroke())};h.render=function(a,b,c){this.styles&&(b=this.styles);let g=k.translate(k.identity(),[this.x,
this.y,this.z]),h=b.atoms_useVDWDiameters_3D?e[this.label].vdWRadius*b.atoms_vdwMultiplier_3D:b.atoms_sphereDiameter_3D/2;0===h&&(h=1);k.scale(g,[h,h,h]);c||(c=b.atoms_color,b.atoms_useJMOLColors?c=e[this.label].jmolColor:b.atoms_usePYMOLColors&&(c=e[this.label].pymolColor),a.material.setDiffuseColor(a,c));a.shader.setMatrixUniforms(a,g);a.drawElements(a.TRIANGLES,(this.renderAsStar?a.starBuffer:a.sphereBuffer).vertexIndexBuffer.numItems,a.UNSIGNED_SHORT,0)};h.renderHighlight=function(a,b){if(this.isSelected||
this.isHover){this.styles&&(b=this.styles);let c=k.translate(k.identity(),[this.x,this.y,this.z]),g=b.atoms_useVDWDiameters_3D?e[this.label].vdWRadius*b.atoms_vdwMultiplier_3D:b.atoms_sphereDiameter_3D/2;0===g&&(g=1);g*=1.3;k.scale(c,[g,g,g]);a.shader.setMatrixUniforms(a,c);a.material.setDiffuseColor(a,this.isHover?b.colorHover:b.colorSelect);a.drawElements(a.TRIANGLES,(this.renderAsStar?a.starBuffer:a.sphereBuffer).vertexIndexBuffer.numItems,a.UNSIGNED_SHORT,0)}};h.isLabelVisible=function(a){return a.atoms_displayAllCarbonLabels_2D||
"C"!==this.label||this.altLabel||!e[this.label]||-1!==this.mass||-1!==this.implicitH||0!==this.charge||a.atoms_showAttributedCarbons_2D&&(0!==this.numRadical||0!==this.numLonePair)||this.isHidden&&a.atoms_showHiddenCarbons_2D||a.atoms_displayTerminalCarbonLabels_2D&&1===this.bondNumber?!0:!1};h.getImplicitHydrogenCount=function(){if(!e[this.label])return 0;if(-1!==this.implicitH)return this.implicitH;if(!e[this.label].addH||"H"===this.label)return 0;var a=e[this.label].valency;let b=a-this.coordinationNumber;
0<this.numRadical&&(b=d.max(0,b-this.numRadical));0<this.charge?(a=4-a,b=this.charge<=a?b+this.charge:4-this.coordinationNumber-this.charge+a):b+=this.charge;return 0>b?0:d.floor(b)};h.getBounds=function(){let a=new n.Bounds;a.expand(this.x,this.y);if(this.textBounds)for(let b=0,c=this.textBounds.length;b<c;b++){let c=this.textBounds[b];a.expand(c.x,c.y,c.x+c.w,c.y+c.h)}return a};h.getBounds3D=function(){let a=new n.Bounds;a.expand3D(this.x,this.y,this.z);return a};h.getElementColor=function(a,b,
c){if(!e[this.label])return"#000";a?c=e[this.label].jmolColor:b&&(c=e[this.label].pymolColor);return c}})(ChemDoodle.ELEMENT,ChemDoodle.extensions,ChemDoodle.math,ChemDoodle.structures,Math,ChemDoodle.lib.mat4);
(function(e,p,n,r,d,k,b,c){-1<navigator.userAgent.indexOf("Safari")&&-1===navigator.userAgent.indexOf("Chrome")&&(CanvasRenderingContext2D.prototype.oldStroke=CanvasRenderingContext2D.prototype.stroke,CanvasRenderingContext2D.prototype.stroke=function(){this.lineWidth+=.01*d.random();this.oldStroke()});n.Bond=function(b,a,g){this.a1=b;this.a2=a;this.bondOrder=g!==c?g:1;this.pid=n.PID++};n.Bond.STEREO_NONE="none";n.Bond.STEREO_PROTRUDING="protruding";n.Bond.STEREO_RECESSED="recessed";n.Bond.STEREO_AMBIGUOUS=
"ambiguous";e=n.Bond.prototype;e.stereo=n.Bond.STEREO_NONE;e.isHover=!1;e.ring=c;e.getCenter=function(){return new n.Point((this.a1.x+this.a2.x)/2,(this.a1.y+this.a2.y)/2)};e.getLength=function(){return this.a1.distance(this.a2)};e.getLength3D=function(){return this.a1.distance3D(this.a2)};e.contains=function(b){return b===this.a1||b===this.a2};e.getNeighbor=function(b){return b===this.a1?this.a2:b===this.a2?this.a1:c};e.draw=function(b,a){if(this.a1.x!==this.a2.x||this.a1.y!==this.a2.y){this.styles&&
(a=this.styles);var c=this.a1.x,h=this.a2.x,e=this.a1.y,l=this.a2.y,k=this.a1.distance(this.a2),u=h-c,w=l-e;if(this.a1.isLassoed&&this.a2.isLassoed){let a=b.createLinearGradient(c,e,h,l);a.addColorStop(0,"rgba(212, 99, 0, 0)");a.addColorStop(.5,"rgba(212, 99, 0, 0.8)");a.addColorStop(1,"rgba(212, 99, 0, 0)");let g=this.a1.angle(this.a2)+d.PI/2,f=d.cos(g),m=d.sin(g),k=c-2.5*f,v=e+2.5*m,u=c+2.5*f,x=e-2.5*m,w=h+2.5*f,r=l-2.5*m,n=h-2.5*f,p=l+2.5*m;b.fillStyle=a;b.beginPath();b.moveTo(k,v);b.lineTo(u,
x);b.lineTo(w,r);b.lineTo(n,p);b.closePath();b.fill()}if(a.atoms_display&&!a.atoms_circles_2D&&this.a1.isLabelVisible(a)&&this.a1.textBounds){let b=0;for(let a=0,c=this.a1.textBounds.length;a<c;a++)b=Math.max(b,r.calculateDistanceInterior(this.a1,this.a2,this.a1.textBounds[a]));b+=a.bonds_atomLabelBuffer_2D;let g=b/k;c+=u*g;e+=w*g}if(a.atoms_display&&!a.atoms_circles_2D&&this.a2.isLabelVisible(a)&&this.a2.textBounds){let b=0;for(let a=0,c=this.a2.textBounds.length;a<c;a++)b=Math.max(b,r.calculateDistanceInterior(this.a2,
this.a1,this.a2.textBounds[a]));b+=a.bonds_atomLabelBuffer_2D;let c=b/k;h-=u*c;l-=w*c}if(a.bonds_clearOverlaps_2D){let g=c+.15*u,d=e+.15*w,f=h-.15*u,m=l-.15*w;b.strokeStyle=a.backgroundColor;b.lineWidth=a.bonds_width_2D+2*a.bonds_overlapClearWidth_2D;b.lineCap="round";b.beginPath();b.moveTo(g,d);b.lineTo(f,m);b.stroke()}b.strokeStyle=this.error?a.colorError:a.bonds_color;b.fillStyle=this.error?a.colorError:a.bonds_color;b.lineWidth=a.bonds_width_2D;b.lineCap=a.bonds_ends_2D;if(a.bonds_splitColor){let g=
b.createLinearGradient(c,e,h,l),d=this.a1.styles?this.a1.styles:a,f=this.a2.styles?this.a2.styles:a,m=this.a1.getElementColor(d.atoms_useJMOLColors,d.atoms_usePYMOLColors,d.atoms_color,2),k=this.a2.getElementColor(f.atoms_useJMOLColors,f.atoms_usePYMOLColors,f.atoms_color,2);g.addColorStop(0,m);a.bonds_colorGradient||(g.addColorStop(.5,m),g.addColorStop(.51,k));g.addColorStop(1,k);b.strokeStyle=g;b.fillStyle=g}if(a.bonds_lewisStyle_2D&&0===this.bondOrder%1)this.drawLewisStyle(b,a,c,e,h,l);else switch(this.query?
1:this.bondOrder){case 0:if(this.stereo===n.Bond.STEREO_PROTRUDING){let g=a.bonds_wedgeThickness_2D/2,m=this.a1.angle(this.a2),f=m+d.PI/2,k=2*a.shapes_arrowLength_2D/d.sqrt(3),v=d.cos(m),u=d.sin(m),x=d.cos(f),w=d.sin(f),r=h-v*k*.8,n=l+u*k*.8,p=r+x*g,K=n-w*g,N=r-x*g,P=n+w*g;b.beginPath();b.moveTo(h,l);b.lineTo(p,K);b.lineTo(N,P);b.closePath();b.fill();b.stroke();b.beginPath();b.moveTo(c,e);b.lineTo(r,n);b.stroke()}else{let g=h-c,m=l-e,f=d.sqrt(g*g+m*m),k=d.floor(f/a.bonds_dotSize_2D),v=(f-(k-1)*a.bonds_dotSize_2D)/
2;1===k%2?v+=a.bonds_dotSize_2D/4:(v-=a.bonds_dotSize_2D/4,k+=2);k/=2;let u=this.a1.angle(this.a2),x=c+v*Math.cos(u),w=e-v*Math.sin(u);b.beginPath();for(let c=0;c<k;c++)b.arc(x,w,a.bonds_dotSize_2D/2,0,2*d.PI,!1),x+=2*a.bonds_dotSize_2D*Math.cos(u),w-=2*a.bonds_dotSize_2D*Math.sin(u);b.fill();break}case .5:b.beginPath();b.moveTo(c,e);b.lineTo(h,l);b.setLineDash([a.bonds_hashSpacing_2D,a.bonds_hashSpacing_2D]);b.stroke();b.setLineDash([]);break;case 1:if(this.query||this.stereo!==n.Bond.STEREO_PROTRUDING&&
this.stereo!==n.Bond.STEREO_RECESSED)if(this.query||this.stereo!==n.Bond.STEREO_AMBIGUOUS)b.beginPath(),b.moveTo(c,e),b.lineTo(h,l),b.stroke(),this.query&&this.query.draw(b,a,this.getCenter());else{let g=h-c,m=l-e;b.beginPath();b.moveTo(c,e);let f=d.floor(d.sqrt(g*g+m*m)/a.bonds_wavyLength_2D),k=c,v=e,u=this.a1.angle(this.a2)+d.PI/2,x=d.cos(u),w=d.sin(u),r=g/f,n=m/f,p,K;for(let c=0;c<f;c++){k+=r;v+=n;let f=0===c%2?1:-1;p=a.bonds_wavyLength_2D*x*f+k-.5*r;K=a.bonds_wavyLength_2D*-w*f+v-.5*n;b.quadraticCurveTo(p,
K,k,v)}b.stroke()}else{let g=a.bonds_width_2D/2,m=a.bonds_wedgeThickness_2D/2,f=this.a1.angle(this.a2)+d.PI/2,k=d.cos(f),v=d.sin(f),u=c-k*g,x=e+v*g,w=c+k*g,r=e-v*g,p=h+k*m,H=l-v*m,K=h-k*m,N=l+v*m;b.beginPath();b.moveTo(u,x);b.lineTo(w,r);b.lineTo(p,H);b.lineTo(K,N);b.closePath();this.stereo===n.Bond.STEREO_PROTRUDING?b.fill():(b.save(),b.clip(),b.lineWidth=2*m,b.lineCap="butt",b.beginPath(),b.moveTo(c,e),b.lineTo(h+5*(h-c),l+5*(l-e)),b.setLineDash([a.bonds_hashWidth_2D,a.bonds_hashSpacing_2D]),b.stroke(),
b.setLineDash([]),b.restore())}break;case 1.5:case 2:{let g=this.a1.angle(this.a2),m=g+d.PI/2,f=d.cos(m),k=d.sin(m),v=this.a1.distance(this.a2),u=a.bonds_useAbsoluteSaturationWidths_2D?a.bonds_saturationWidthAbs_2D/2:v*a.bonds_saturationWidth_2D/2;if(this.stereo===n.Bond.STEREO_AMBIGUOUS){let a=c-f*u,g=e+k*u,d=c+f*u,m=e-k*u,v=h+f*u,x=l-k*u,w=h-f*u,q=l+k*u;b.beginPath();b.moveTo(a,g);b.lineTo(v,x);b.moveTo(d,m);b.lineTo(w,q);b.stroke()}else if(!a.bonds_symmetrical_2D&&(this.ring||"C"===this.a1.label&&
"C"===this.a2.label)){b.beginPath();b.moveTo(c,e);b.lineTo(h,l);b.stroke();let m=0;u*=2;let x=a.bonds_saturationAngle_2D;x<d.PI/2&&(m=-(u/d.tan(x)));if(d.abs(m)<v/2){let v=c-d.cos(g)*m,x=h+d.cos(g)*m,w=e+d.sin(g)*m,q=l-d.sin(g)*m,r=v-f*u,n=w+k*u,z=v+f*u,p=w-k*u,y=x-f*u,B=q+k*u,A=x+f*u,D=q-k*u,C=!this.ring||this.ring.center.angle(this.a1)>this.ring.center.angle(this.a2)&&!(this.ring.center.angle(this.a1)-this.ring.center.angle(this.a2)>d.PI)||this.ring.center.angle(this.a1)-this.ring.center.angle(this.a2)<
-d.PI;b.beginPath();C?(b.moveTo(r,n),b.lineTo(y,B)):(b.moveTo(z,p),b.lineTo(A,D));2!==this.bondOrder&&b.setLineDash([a.bonds_hashSpacing_2D,a.bonds_hashSpacing_2D]);b.stroke();b.setLineDash([])}}else{let g=c-f*u,d=e+k*u,m=c+f*u,v=e-k*u,x=h+f*u,w=l-k*u,q=h-f*u,r=l+k*u;b.beginPath();b.moveTo(g,d);b.lineTo(q,r);b.stroke();b.beginPath();b.moveTo(m,v);b.lineTo(x,w);2!==this.bondOrder&&b.setLineDash([a.bonds_hashWidth_2D,a.bonds_hashSpacing_2D]);b.stroke();b.setLineDash([])}break}case 3:{let g=a.bonds_useAbsoluteSaturationWidths_2D?
a.bonds_saturationWidthAbs_2D:this.a1.distance(this.a2)*a.bonds_saturationWidth_2D,m=this.a1.angle(this.a2)+d.PI/2,f=d.cos(m),k=d.sin(m),v=c-f*g,u=e+k*g,x=c+f*g,w=e-k*g,r=h+f*g,n=l-k*g,p=h-f*g,K=l+k*g;b.beginPath();b.moveTo(v,u);b.lineTo(p,K);b.moveTo(x,w);b.lineTo(r,n);b.moveTo(c,e);b.lineTo(h,l);b.stroke()}}}};e.drawDecorations=function(b,a){if(this.isHover||this.isSelected){let c=2*d.PI,h=(this.a1.angleForStupidCanvasArcs(this.a2)+d.PI/2)%c;b.strokeStyle=this.isHover?a.colorHover:a.colorSelect;
b.lineWidth=1.2;b.beginPath();a=(h+d.PI)%c;a%=2*d.PI;b.arc(this.a1.x,this.a1.y,7,h,a,!1);b.stroke();b.beginPath();h+=d.PI;a=(h+d.PI)%c;b.arc(this.a2.x,this.a2.y,7,h,a,!1);b.stroke()}};e.drawLewisStyle=function(b,a,c,m,e,l){var g=this.a1.angle(this.a2);let h=g+d.PI/2;e-=c;l-=m;e=d.sqrt(e*e+l*l)/(this.bondOrder+1);l=e*d.cos(g);g=-e*d.sin(g);c+=l;m+=g;for(e=0;e<this.bondOrder;e++){var k=a.atoms_lonePairSpread_2D/2;let e=c-d.cos(h)*k,v=m+d.sin(h)*k,f=c+d.cos(h)*k;k=m-d.sin(h)*k;b.beginPath();b.arc(e-
a.atoms_lonePairDiameter_2D/2,v-a.atoms_lonePairDiameter_2D/2,a.atoms_lonePairDiameter_2D,0,2*d.PI,!1);b.fill();b.beginPath();b.arc(f-a.atoms_lonePairDiameter_2D/2,k-a.atoms_lonePairDiameter_2D/2,a.atoms_lonePairDiameter_2D,0,2*d.PI,!1);b.fill();c+=l;m+=g}};e.render=function(c,a,g){this.styles&&(a=this.styles);var h=this.a1.distance3D(this.a2);if(0!==h){var e=a.bonds_cylinderDiameter_3D/2,l=a.bonds_color,x=k.translate(k.identity(),[this.a1.x,this.a1.y,this.a1.z]),u,w=[this.a2.x-this.a1.x,this.a2.y-
this.a1.y,this.a2.z-this.a1.z],r=[0,1,0],n=0;this.a1.x===this.a2.x&&this.a1.z===this.a2.z?(r=[0,0,1],this.a2.y<this.a1.y&&(n=d.PI)):(n=p.vec3AngleFrom(r,w),r=b.cross(r,w,[]));if(a.bonds_splitColor){l=this.a1.styles?this.a1.styles:a;var f=this.a2.styles?this.a2.styles:a;l=this.a1.getElementColor(l.atoms_useJMOLColors,l.atoms_usePYMOLColors,l.atoms_color);f=this.a2.getElementColor(f.atoms_useJMOLColors,f.atoms_usePYMOLColors,f.atoms_color);l!=f&&(u=k.translate(k.identity(),[this.a2.x,this.a2.y,this.a2.z]))}var q=
[0];if(g){if(a.bonds_showBondOrders_3D&&1<this.bondOrder){q=[a.bonds_cylinderDiameter_3D];var A=[0,0,1];e=k.inverse(c.rotationMatrix,[]);k.multiplyVec3(e,A);A=b.cross(w,A,[]);b.normalize(A)}w=1;var C=a.bonds_pillSpacing_3D;e=a.bonds_pillHeight_3D;0==this.bondOrder&&(a.bonds_renderAsLines_3D?e=C:(e=a.bonds_pillDiameter_3D,e<a.bonds_cylinderDiameter_3D&&(e/=2),w=e/2,h/=w,C/=w/2));g=e+C;let m=d.floor(h/g);h=(C+a.bonds_pillDiameter_3D+(h-g*m))/2;C=m;u&&(C=d.floor(m/2));for(let v=0,z=q.length;v<z;v++){let z=
k.set(x,[]);0!==q[v]&&k.translate(z,b.scale(A,q[v],[]));0!==n&&k.rotate(z,n,r);1!=w&&k.scale(z,[w,w,w]);l&&c.material.setDiffuseColor(c,l);k.translate(z,[0,h,0]);for(var B=0;B<C;B++)a.bonds_renderAsLines_3D?0==this.bondOrder?(c.shader.setMatrixUniforms(c,z),c.drawArrays(c.POINTS,0,1)):(k.scale(z,[1,e,1]),c.shader.setMatrixUniforms(c,z),c.drawArrays(c.LINES,0,c.lineBuffer.vertexPositionBuffer.numItems),k.scale(z,[1,1/e,1])):(c.shader.setMatrixUniforms(c,z),0==this.bondOrder?c.drawElements(c.TRIANGLES,
c.sphereBuffer.vertexIndexBuffer.numItems,c.UNSIGNED_SHORT,0):c.drawElements(c.TRIANGLES,c.pillBuffer.vertexIndexBuffer.numItems,c.UNSIGNED_SHORT,0)),k.translate(z,[0,g,0]);if(u){let l;a.bonds_renderAsLines_3D?(B=e,B/=2,l=0):(B=2/3,l=(1-B)/2);0!=m%2&&(k.scale(z,[1,B,1]),c.shader.setMatrixUniforms(c,z),a.bonds_renderAsLines_3D?0==this.bondOrder?c.drawArrays(c.POINTS,0,1):c.drawArrays(c.LINES,0,c.lineBuffer.vertexPositionBuffer.numItems):0==this.bondOrder?c.drawElements(c.TRIANGLES,c.sphereBuffer.vertexIndexBuffer.numItems,
c.UNSIGNED_SHORT,0):c.drawElements(c.TRIANGLES,c.pillBuffer.vertexIndexBuffer.numItems,c.UNSIGNED_SHORT,0),k.translate(z,[0,g*(1+l),0]),k.scale(z,[1,1/B,1]));k.set(u,z);0!==q[v]&&k.translate(z,b.scale(A,q[v],[]));k.rotate(z,n+d.PI,r);1!=w&&k.scale(z,[w,w,w]);f&&c.material.setDiffuseColor(c,f);k.translate(z,[0,h,0]);for(let b=0;b<C;b++)a.bonds_renderAsLines_3D?0==this.bondOrder?(c.shader.setMatrixUniforms(c,z),c.drawArrays(c.POINTS,0,1)):(k.scale(z,[1,e,1]),c.shader.setMatrixUniforms(c,z),c.drawArrays(c.LINES,
0,c.lineBuffer.vertexPositionBuffer.numItems),k.scale(z,[1,1/e,1])):(c.shader.setMatrixUniforms(c,z),0==this.bondOrder?c.drawElements(c.TRIANGLES,c.sphereBuffer.vertexIndexBuffer.numItems,c.UNSIGNED_SHORT,0):c.drawElements(c.TRIANGLES,c.pillBuffer.vertexIndexBuffer.numItems,c.UNSIGNED_SHORT,0)),k.translate(z,[0,g,0]);0!=m%2&&(k.scale(z,[1,B,1]),c.shader.setMatrixUniforms(c,z),a.bonds_renderAsLines_3D?0==this.bondOrder?c.drawArrays(c.POINTS,0,1):c.drawArrays(c.LINES,0,c.lineBuffer.vertexPositionBuffer.numItems):
0==this.bondOrder?c.drawElements(c.TRIANGLES,c.sphereBuffer.vertexIndexBuffer.numItems,c.UNSIGNED_SHORT,0):c.drawElements(c.TRIANGLES,c.pillBuffer.vertexIndexBuffer.numItems,c.UNSIGNED_SHORT,0),k.translate(z,[0,g*(1+l),0]),k.scale(z,[1,1/B,1]))}}}else{if(a.bonds_showBondOrders_3D){switch(this.bondOrder){case 1.5:q=[-a.bonds_cylinderDiameter_3D];break;case 2:q=[-a.bonds_cylinderDiameter_3D,a.bonds_cylinderDiameter_3D];break;case 3:q=[-1.2*a.bonds_cylinderDiameter_3D,0,1.2*a.bonds_cylinderDiameter_3D]}1<
this.bondOrder&&(A=[0,0,1],g=k.inverse(c.rotationMatrix,[]),k.multiplyVec3(g,A),A=b.cross(w,A,[]),b.normalize(A))}else switch(this.bondOrder){case 0:e*=.25;break;case .5:case 1.5:e*=.5}u&&(h/=2);h=[e,h,e];for(let g=0,m=q.length;g<m;g++)w=k.set(x,[]),0!==q[g]&&k.translate(w,b.scale(A,q[g],[])),0!==n&&k.rotate(w,n,r),k.scale(w,h),l&&c.material.setDiffuseColor(c,l),c.shader.setMatrixUniforms(c,w),a.bonds_renderAsLines_3D?c.drawArrays(c.LINES,0,c.lineBuffer.vertexPositionBuffer.numItems):c.drawArrays(c.TRIANGLE_STRIP,
0,c.cylinderBuffer.vertexPositionBuffer.numItems),u&&(k.set(u,w),0!==q[g]&&k.translate(w,b.scale(A,q[g],[])),k.rotate(w,n+d.PI,r),k.scale(w,h),f&&c.material.setDiffuseColor(c,f),c.shader.setMatrixUniforms(c,w),a.bonds_renderAsLines_3D?c.drawArrays(c.LINES,0,c.lineBuffer.vertexPositionBuffer.numItems):c.drawArrays(c.TRIANGLE_STRIP,0,c.cylinderBuffer.vertexPositionBuffer.numItems))}}};e.renderHighlight=function(c,a){if(this.isSelected||this.isHover){this.styles&&(a=this.styles);this.styles&&(a=this.styles);
let m=this.a1.distance3D(this.a2);if(0!==m){var g=a.bonds_cylinderDiameter_3D/1.2,h=k.translate(k.identity(),[this.a1.x,this.a1.y,this.a1.z]),e=[this.a2.x-this.a1.x,this.a2.y-this.a1.y,this.a2.z-this.a1.z],l=[0,1,0],x=0;this.a1.x===this.a2.x&&this.a1.z===this.a2.z?(e=[0,0,1],this.a2.y<this.a1.y&&(x=d.PI)):(x=p.vec3AngleFrom(l,e),e=b.cross(l,e,[]));g=[g,m,g];0!==x&&k.rotate(h,x,e);k.scale(h,g);c.shader.setMatrixUniforms(c,h);c.material.setDiffuseColor(c,this.isHover?a.colorHover:a.colorSelect);c.drawArrays(c.TRIANGLE_STRIP,
0,c.cylinderBuffer.vertexPositionBuffer.numItems)}}};e.renderPicker=function(c,a){this.styles&&(a=this.styles);var g=this.a1.distance3D(this.a2);if(0!==g){var h=a.bonds_cylinderDiameter_3D/2,e=k.translate(k.identity(),[this.a1.x,this.a1.y,this.a1.z]),l=[this.a2.x-this.a1.x,this.a2.y-this.a1.y,this.a2.z-this.a1.z],x=[0,1,0],u=0;this.a1.x===this.a2.x&&this.a1.z===this.a2.z?(x=[0,0,1],this.a2.y<this.a1.y&&(u=d.PI)):(u=p.vec3AngleFrom(x,l),x=b.cross(x,l,[]));var w=[0];if(a.bonds_showBondOrders_3D)if(a.bonds_renderAsLines_3D){switch(this.bondOrder){case 1.5:case 2:w=
[-a.bonds_cylinderDiameter_3D,a.bonds_cylinderDiameter_3D];break;case 3:w=[-1.2*a.bonds_cylinderDiameter_3D,0,1.2*a.bonds_cylinderDiameter_3D]}if(1<this.bondOrder){var r=[0,0,1];let a=k.inverse(c.rotationMatrix,[]);k.multiplyVec3(a,r);r=b.cross(l,r,[]);b.normalize(r)}}else switch(this.bondOrder){case 1.5:case 2:h*=3;break;case 3:h*=3.4}else switch(this.bondOrder){case 0:h*=.25;break;case .5:case 1.5:h*=.5}g=[h,g,h];for(let d=0,f=w.length;d<f;d++)h=k.set(e,[]),0!==w[d]&&k.translate(h,b.scale(r,w[d],
[])),0!==u&&k.rotate(h,u,x),k.scale(h,g),c.shader.setMatrixUniforms(c,h),a.bonds_renderAsLines_3D?c.drawArrays(c.LINES,0,c.lineBuffer.vertexPositionBuffer.numItems):c.drawArrays(c.TRIANGLE_STRIP,0,c.cylinderBuffer.vertexPositionBuffer.numItems)}}})(ChemDoodle.ELEMENT,ChemDoodle.extensions,ChemDoodle.structures,ChemDoodle.math,Math,ChemDoodle.lib.mat4,ChemDoodle.lib.vec3);
(function(e,p,n){e.Ring=function(){this.atoms=[];this.bonds=[]};let r=e.Ring.prototype;r.center=n;r.setupBonds=function(){for(let d=0,e=this.bonds.length;d<e;d++)this.bonds[d].ring=this;this.center=this.getCenter()};r.getCenter=function(){let d=Infinity,k=Infinity,b=-Infinity,c=-Infinity;for(let h=0,a=this.atoms.length;h<a;h++)d=p.min(this.atoms[h].x,d),k=p.min(this.atoms[h].y,k),b=p.max(this.atoms[h].x,b),c=p.max(this.atoms[h].y,c);return new e.Point((b+d)/2,(c+k)/2)}})(ChemDoodle.structures,Math);
(function(e,p,n,r,d,k){n.Molecule=function(){this.atoms=[];this.bonds=[];this.rings=[]};let b=n.Molecule.prototype;b.findRings=!0;b.draw=function(b,h){this.styles&&(h=this.styles);if(h.atoms_display&&!h.atoms_circles_2D)for(let a=0,c=this.atoms.length;a<c;a++)this.atoms[a].draw(b,h);if(h.bonds_display)for(let a=0,c=this.bonds.length;a<c;a++)this.bonds[a].draw(b,h);if(h.atoms_display)for(let a=0,c=this.atoms.length;a<c;a++){let c=this.atoms[a];h.atoms_circles_2D&&c.draw(b,h);c.query&&c.query.draw(b,
h,c)}};b.render=function(b,h){this.styles&&(h=this.styles);var a=0<this.atoms.length&&this.atoms[0].hetatm!==k;if(a){if(h.macro_displayBonds){0<this.bonds.length&&(h.bonds_renderAsLines_3D&&!this.residueSpecs||this.residueSpecs&&this.residueSpecs.bonds_renderAsLines_3D?(b.lineWidth(this.residueSpecs?this.residueSpecs.bonds_width_2D:h.bonds_width_2D),b.lineBuffer.bindBuffers(b)):b.cylinderBuffer.bindBuffers(b),b.material.setTempColors(b,h.bonds_materialAmbientColor_3D,k,h.bonds_materialSpecularColor_3D,
h.bonds_materialShininess_3D));for(let a=0,g=this.bonds.length;a<g;a++){var c=this.bonds[a];!c.a1.hetatm&&(-1===h.macro_atomToLigandDistance||c.a1.closestDistance!==k&&h.macro_atomToLigandDistance>=c.a1.closestDistance&&h.macro_atomToLigandDistance>=c.a2.closestDistance)&&c.render(b,this.residueSpecs?this.residueSpecs:h)}}if(h.macro_displayAtoms){0<this.atoms.length&&(b.sphereBuffer.bindBuffers(b),b.material.setTempColors(b,h.atoms_materialAmbientColor_3D,k,h.atoms_materialSpecularColor_3D,h.atoms_materialShininess_3D));
for(let a=0,g=this.atoms.length;a<g;a++)c=this.atoms[a],!c.hetatm&&(-1===h.macro_atomToLigandDistance||c.closestDistance!==k&&h.macro_atomToLigandDistance>=c.closestDistance)&&c.render(b,this.residueSpecs?this.residueSpecs:h)}}if(h.bonds_display){c=[];var d=[];0<this.bonds.length&&(h.bonds_renderAsLines_3D?(b.lineWidth(h.bonds_width_2D),b.lineBuffer.bindBuffers(b)):b.cylinderBuffer.bindBuffers(b),b.material.setTempColors(b,h.bonds_materialAmbientColor_3D,k,h.bonds_materialSpecularColor_3D,h.bonds_materialShininess_3D));
for(let g=0,m=this.bonds.length;g<m;g++){let m=this.bonds[g];if(!a||m.a1.hetatm)h.bonds_showBondOrders_3D?0==m.bondOrder?d.push(m):.5==m.bondOrder?c.push(m):(1.5==m.bondOrder&&c.push(m),m.render(b,h)):m.render(b,h)}if(0<c.length){h.bonds_renderAsLines_3D||b.pillBuffer.bindBuffers(b);for(let a=0,g=c.length;a<g;a++)c[a].render(b,h,!0)}if(0<d.length){h.bonds_renderAsLines_3D||b.sphereBuffer.bindBuffers(b);for(let a=0,c=d.length;a<c;a++)d[a].render(b,h,!0)}}if(h.atoms_display){for(let a=0,b=this.atoms.length;a<
b;a++)c=this.atoms[a],c.bondNumber=0,c.renderAsStar=!1;for(let a=0,b=this.bonds.length;a<b;a++)c=this.bonds[a],c.a1.bondNumber++,c.a2.bondNumber++;0<this.atoms.length&&(b.sphereBuffer.bindBuffers(b),b.material.setTempColors(b,h.atoms_materialAmbientColor_3D,k,h.atoms_materialSpecularColor_3D,h.atoms_materialShininess_3D));c=[];for(let g=0,m=this.atoms.length;g<m;g++)if(d=this.atoms[g],!a||d.hetatm&&(h.macro_showWater||!d.isWater))h.atoms_nonBondedAsStars_3D&&0===d.bondNumber?(d.renderAsStar=!0,c.push(d)):
d.render(b,h);if(0<c.length){b.starBuffer.bindBuffers(b);for(let a=0,g=c.length;a<g;a++)c[a].render(b,h)}}if(this.chains){b.shader.setMatrixUniforms(b);if(h.proteins_displayRibbon){b.material.setTempColors(b,h.proteins_materialAmbientColor_3D,k,h.proteins_materialSpecularColor_3D,h.proteins_materialShininess_3D);a=h.proteins_ribbonCartoonize?this.cartoons:this.ribbons;for(let g=0,m=a.length;g<m;g++)if(c=a[g],"none"!==h.proteins_residueColor){c.front.bindBuffers(b);d="rainbow"===h.proteins_residueColor;
for(let a=0,g=c.front.segments.length;a<g;a++)d&&b.material.setDiffuseColor(b,p.rainbowAt(a,g,h.macro_rainbowColors)),c.front.segments[a].render(b,h);c.back.bindBuffers(b);for(let a=0,g=c.back.segments.length;a<g;a++)d&&b.material.setDiffuseColor(b,p.rainbowAt(a,g,h.macro_rainbowColors)),c.back.segments[a].render(b,h)}else c.front.render(b,h),c.back.render(b,h)}if(h.proteins_displayPipePlank)for(let a=0,c=this.pipePlanks.length;a<c;a++)this.pipePlanks[a].render(b,h);if(h.proteins_displayBackbone){if(!this.alphaCarbonTrace){this.alphaCarbonTrace=
{nodes:[],edges:[]};for(let b=0,g=this.chains.length;b<g;b++)if(a=this.chains[b],!(2<a.length&&r[a[2].name]&&"#BEA06E"===r[a[2].name].aminoColor)&&0<a.length)for(let b=0,g=a.length-2;b<g;b++)c=a[b].cp1,c.chainColor=a.chainColor,this.alphaCarbonTrace.nodes.push(c),c=new n.Bond(a[b].cp1,a[b+1].cp1),c.residueName=a[b].name,c.chainColor=a.chainColor,this.alphaCarbonTrace.edges.push(c),b===a.length-3&&(c=a[b+1].cp1,c.chainColor=a.chainColor,this.alphaCarbonTrace.nodes.push(c))}if(0<this.alphaCarbonTrace.nodes.length){a=
new n.Styles;a.atoms_display=!0;a.bonds_display=!0;a.atoms_sphereDiameter_3D=h.proteins_backboneThickness;a.bonds_cylinderDiameter_3D=h.proteins_backboneThickness;a.bonds_splitColor=!1;a.atoms_color=h.proteins_backboneColor;a.bonds_color=h.proteins_backboneColor;a.atoms_useVDWDiameters_3D=!1;b.material.setTempColors(b,h.proteins_materialAmbientColor_3D,k,h.proteins_materialSpecularColor_3D,h.proteins_materialShininess_3D);b.material.setDiffuseColor(b,h.proteins_backboneColor);for(let g=0,d=this.alphaCarbonTrace.nodes.length;g<
d;g++)c=this.alphaCarbonTrace.nodes[g],h.macro_colorByChain&&(a.atoms_color=c.chainColor),b.sphereBuffer.bindBuffers(b),c.render(b,a);for(let g=0,m=this.alphaCarbonTrace.edges.length;g<m;g++){c=this.alphaCarbonTrace.edges[g];var e;d=r[c.residueName]?r[c.residueName]:r["*"];h.macro_colorByChain?e=c.chainColor:"shapely"===h.proteins_residueColor?e=d.shapelyColor:"amino"===h.proteins_residueColor?e=d.aminoColor:"polarity"===h.proteins_residueColor?e=d.polar?"#C10000":"#FFFFFF":"acidity"===h.proteins_residueColor?
e=1===d.acidity?"#0000FF":-1===d.acidity?"#FF0000":d.polar?"#FFFFFF":"#773300":"rainbow"===h.proteins_residueColor&&(e=p.rainbowAt(g,m,h.macro_rainbowColors));e&&(a.bonds_color=e);b.cylinderBuffer.bindBuffers(b);c.render(b,a)}}}if(h.nucleics_display){b.material.setTempColors(b,h.nucleics_materialAmbientColor_3D,k,h.nucleics_materialSpecularColor_3D,h.nucleics_materialShininess_3D);for(let a=0,c=this.tubes.length;a<c;a++)b.shader.setMatrixUniforms(b),this.tubes[a].render(b,h)}}if(h.atoms_display){e=
!1;for(let b=0,c=this.atoms.length;b<c;b++)if(a=this.atoms[b],a.isHover||a.isSelected){e=!0;break}if(!e)for(let b=0,c=this.bonds.length;b<c;b++)if(a=this.bonds[b],a.isHover||a.isSelected){e=!0;break}if(e){b.sphereBuffer.bindBuffers(b);b.blendFunc(b.SRC_ALPHA,b.ONE);b.material.setTempColors(b,h.atoms_materialAmbientColor_3D,k,"#000000",0);b.enable(b.BLEND);b.depthMask(!1);b.material.setAlpha(b,.4);b.sphereBuffer.bindBuffers(b);for(let a=0,c=this.atoms.length;a<c;a++)e=this.atoms[a],(e.isHover||e.isSelected)&&
e.renderHighlight(b,h);b.cylinderBuffer.bindBuffers(b);for(let a=0,c=this.bonds.length;a<c;a++)e=this.bonds[a],(e.isHover||e.isSelected)&&e.renderHighlight(b,h);b.depthMask(!0);b.disable(b.BLEND);b.blendFuncSeparate(b.SRC_ALPHA,b.ONE_MINUS_SRC_ALPHA,b.ONE,b.ONE_MINUS_SRC_ALPHA)}}};b.renderPickFrame=function(b,h,a,g,d){this.styles&&(h=this.styles);var c=0<this.atoms.length&&this.atoms[0].hetatm!==k;if(d&&h.bonds_display){0<this.bonds.length&&(h.bonds_renderAsLines_3D?(b.lineWidth(h.bonds_width_2D),
b.lineBuffer.bindBuffers(b)):b.cylinderBuffer.bindBuffers(b));for(let g=0,m=this.bonds.length;g<m;g++)if(d=this.bonds[g],!c||d.a1.hetatm)b.material.setDiffuseColor(b,p.idx2color(a.length)),d.renderPicker(b,h),a.push(d)}if(g&&h.atoms_display){for(let a=0,b=this.atoms.length;a<b;a++)g=this.atoms[a],g.bondNumber=0,g.renderAsStar=!1;for(let a=0,b=this.bonds.length;a<b;a++)g=this.bonds[a],g.a1.bondNumber++,g.a2.bondNumber++;0<this.atoms.length&&b.sphereBuffer.bindBuffers(b);g=[];for(let m=0,e=this.atoms.length;m<
e;m++)if(d=this.atoms[m],!c||d.hetatm&&(h.macro_showWater||!d.isWater))h.atoms_nonBondedAsStars_3D&&0===d.bondNumber?(d.renderAsStar=!0,g.push(d)):(b.material.setDiffuseColor(b,p.idx2color(a.length)),d.render(b,h,!0),a.push(d));if(0<g.length){b.starBuffer.bindBuffers(b);for(let d=0,m=g.length;d<m;d++)c=g[d],b.material.setDiffuseColor(b,p.idx2color(a.length)),c.render(b,h,!0),a.push(c)}}};b.getCenter3D=function(){if(1===this.atoms.length)return new n.Atom("C",this.atoms[0].x,this.atoms[0].y,this.atoms[0].z);
let b=Infinity,h=Infinity,a=Infinity,g=-Infinity,m=-Infinity,e=-Infinity;if(this.chains)for(let c=0,k=this.chains.length;c<k;c++){let l=this.chains[c];for(let c=0,k=l.length;c<k;c++){let k=l[c];b=d.min(k.cp1.x,k.cp2.x,b);h=d.min(k.cp1.y,k.cp2.y,h);a=d.min(k.cp1.z,k.cp2.z,a);g=d.max(k.cp1.x,k.cp2.x,g);m=d.max(k.cp1.y,k.cp2.y,m);e=d.max(k.cp1.z,k.cp2.z,e)}}for(let c=0,k=this.atoms.length;c<k;c++)b=d.min(this.atoms[c].x,b),h=d.min(this.atoms[c].y,h),a=d.min(this.atoms[c].z,a),g=d.max(this.atoms[c].x,
g),m=d.max(this.atoms[c].y,m),e=d.max(this.atoms[c].z,e);return new n.Atom("C",(g+b)/2,(m+h)/2,(e+a)/2)};b.getCenter=function(){if(1===this.atoms.length)return new n.Point(this.atoms[0].x,this.atoms[0].y);let b=Infinity,h=Infinity,a=-Infinity,g=-Infinity;for(let c=0,e=this.atoms.length;c<e;c++)b=d.min(this.atoms[c].x,b),h=d.min(this.atoms[c].y,h),a=d.max(this.atoms[c].x,a),g=d.max(this.atoms[c].y,g);return new n.Point((a+b)/2,(g+h)/2)};b.getDimension=function(){if(1===this.atoms.length)return new n.Point(0,
0);let b=Infinity,h=Infinity,a=-Infinity,g=-Infinity;if(this.chains){for(let c=0,e=this.chains.length;c<e;c++){let m=this.chains[c];for(let c=0,e=m.length;c<e;c++){let e=m[c];b=d.min(e.cp1.x,e.cp2.x,b);h=d.min(e.cp1.y,e.cp2.y,h);a=d.max(e.cp1.x,e.cp2.x,a);g=d.max(e.cp1.y,e.cp2.y,g)}}b-=30;h-=30;a+=30;g+=30}for(let c=0,e=this.atoms.length;c<e;c++)b=d.min(this.atoms[c].x,b),h=d.min(this.atoms[c].y,h),a=d.max(this.atoms[c].x,a),g=d.max(this.atoms[c].y,g);return new n.Point(a-b,g-h)};b.check=function(b){if(b&&
this.doChecks){if(this.findRings)if(this.bonds.length-this.atoms.length!==this.fjNumCache){this.rings=(new e.informatics.SSSRFinder(this)).rings;for(let a=0,b=this.bonds.length;a<b;a++)this.bonds[a].ring=k;for(let a=0,b=this.rings.length;a<b;a++)this.rings[a].setupBonds()}else for(let a=0,b=this.rings.length;a<b;a++){var c=this.rings[a];c.center=c.getCenter()}for(let a=0,b=this.atoms.length;a<b;a++)if(this.atoms[a].isLone=!1,"C"===this.atoms[a].label){c=0;for(let b=0,g=this.bonds.length;b<g;b++)this.bonds[b].a1!==
this.atoms[a]&&this.bonds[b].a2!==this.atoms[a]||c++;0===c&&(this.atoms[a].isLone=!0)}c=!1;for(let a=0,b=this.atoms.length;a<b;a++)0!==this.atoms[a].z&&(c=!0);c&&(this.sortAtomsByZ(),this.sortBondsByZ());this.setupMetaData();this.atomNumCache=this.atoms.length;this.bondNumCache=this.bonds.length;this.fjNumCache=this.bonds.length-this.atoms.length}this.doChecks=!b};b.getAngles=function(b){let c=[];for(let a=0,g=this.bonds.length;a<g;a++)this.bonds[a].contains(b)&&c.push(b.angle(this.bonds[a].getNeighbor(b)));
c.sort(function(a,b){return a-b});return c};b.getCoordinationNumber=function(b){let c=0;for(let a=0,g=b.length;a<g;a++)c+=b[a].bondOrder;return c};b.getBonds=function(b){let c=[];for(let a=0,g=this.bonds.length;a<g;a++)this.bonds[a].contains(b)&&c.push(this.bonds[a]);return c};b.sortAtomsByZ=function(){for(let b=1,h=this.atoms.length;b<h;b++){let a=b;for(;0<a&&this.atoms[a].z<this.atoms[a-1].z;){let b=this.atoms[a];this.atoms[a]=this.atoms[a-1];this.atoms[a-1]=b;a--}}};b.sortBondsByZ=function(){for(let b=
1,h=this.bonds.length;b<h;b++){let a=b;for(;0<a&&this.bonds[a].a1.z+this.bonds[a].a2.z<this.bonds[a-1].a1.z+this.bonds[a-1].a2.z;){let b=this.bonds[a];this.bonds[a]=this.bonds[a-1];this.bonds[a-1]=b;a--}}};b.setupMetaData=function(){let b=this.getCenter();for(let c=0,a=this.atoms.length;c<a;c++){let a=this.atoms[c];a.bonds=this.getBonds(a);a.angles=this.getAngles(a);a.isHidden=2===a.bonds.length&&d.abs(d.abs(a.angles[1]-a.angles[0])-d.PI)<d.PI/30&&a.bonds[0].bondOrder===a.bonds[1].bondOrder;let h=
p.angleBetweenLargest(a.angles);a.angleOfLeastInterference=h.angle%(2*d.PI);a.largestAngle=h.largest;a.coordinationNumber=this.getCoordinationNumber(a.bonds);a.bondNumber=a.bonds.length;a.molCenter=b}for(let c=0,a=this.bonds.length;c<a;c++)this.bonds[c].molCenter=b};b.scaleToAverageBondLength=function(b){let c=this.getAverageBondLength();if(0!==c){b/=c;for(let a=0,c=this.atoms.length;a<c;a++)this.atoms[a].x*=b,this.atoms[a].y*=b}};b.getAverageBondLength=function(){if(0===this.bonds.length)return 0;
let b=0;for(let c=0,a=this.bonds.length;c<a;c++)b+=this.bonds[c].getLength();return b/=this.bonds.length};b.getBounds=function(){let b=new p.Bounds;for(let c=0,a=this.atoms.length;c<a;c++)b.expand(this.atoms[c].getBounds());if(this.chains){for(let c=0,a=this.chains.length;c<a;c++){let a=this.chains[c];for(let c=0,g=a.length;c<g;c++){let g=a[c];b.expand(g.cp1.x,g.cp1.y);b.expand(g.cp2.x,g.cp2.y)}}b.minX-=30;b.minY-=30;b.maxX+=30;b.maxY+=30}return b};b.getBounds3D=function(){let b=new p.Bounds;for(let c=
0,a=this.atoms.length;c<a;c++)b.expand(this.atoms[c].getBounds3D());if(this.chains)for(let c=0,a=this.chains.length;c<a;c++){let a=this.chains[c];for(let c=0,g=a.length;c<g;c++){let g=a[c];b.expand3D(g.cp1.x,g.cp1.y,g.cp1.z);b.expand3D(g.cp2.x,g.cp2.y,g.cp2.z)}}return b};b.getAtomGroup=function(b){let c=!1;for(let a=0,b=this.atoms.length;a<b;a++)this.atoms[a].visited=!1;for(let g=0,d=this.bonds.length;g<d;g++){var a=this.bonds[g];!c&&a.contains(b)&&a.ring!==k&&(c=!0)}if(!c)return k;a=[b];b.visited=
!0;let g=new n.Queue;for(g.enqueue(b);!g.isEmpty();){b=g.dequeue();for(let h=0,m=this.bonds.length;h<m;h++){var d=this.bonds[h];d.contains(b)&&c===(d.ring!==k)&&(d=d.getNeighbor(b),d.visited||(d.visited=!0,a.push(d),g.enqueue(d)))}}return a};b.getBondGroup=function(b){let c=b.ring!==k;var a=!1;for(let c=0,d=this.bonds.length;c<d;c++){var g=this.bonds[c];g===b&&(a=!0);g.visited=!1}if(!a)return k;a=[b];b.visited=!0;g=new n.Queue;for(g.enqueue(b);!g.isEmpty();){b=g.dequeue();for(let d=0,h=this.bonds.length;d<
h;d++){let h=this.bonds[d];h.visited||h.a1!==b.a1&&h.a2!==b.a1&&h.a1!==b.a2&&h.a2!==b.a2||h.ring!==k!==c||(h.visited=!0,a.push(h),g.enqueue(h))}}return a}})(ChemDoodle,ChemDoodle.math,ChemDoodle.structures,ChemDoodle.RESIDUE,Math);(function(e,p){e.Reaction=function(){};e.Reaction.prototype.resolve=function(e,r){if(e&&r){var d={reactants:[],products:[]};e=e.getPoints();if(!e)return d.reactants.push(...r),d;for(let k=0,b=r.length;k<b;k++){let b=r[k];b.getCenter().x<e[1].x?d.reactants.push(b):d.products.push(b)}return d}}})(ChemDoodle.structures);
(function(e,p,n,r,d){let k,b=-1;e.Residue=function(b){this.resSeq=b};d=e.Residue.prototype;d.setup=function(b,d){this.horizontalResolution=d;let a=[b.x-this.cp1.x,b.y-this.cp1.y,b.z-this.cp1.z];var c=r.cross(a,[this.cp2.x-this.cp1.x,this.cp2.y-this.cp1.y,this.cp2.z-this.cp1.z],[]);this.D=r.cross(c,a,[]);r.normalize(c);r.normalize(this.D);this.guidePointsSmall=[];this.guidePointsLarge=[];b=[(b.x+this.cp1.x)/2,(b.y+this.cp1.y)/2,(b.z+this.cp1.z)/2];this.helix&&(r.scale(c,1.5),r.add(b,c));this.guidePointsSmall[0]=
new e.Atom("",b[0]-this.D[0]/2,b[1]-this.D[1]/2,b[2]-this.D[2]/2);for(c=1;c<d;c++)this.guidePointsSmall[c]=new e.Atom("",this.guidePointsSmall[0].x+this.D[0]*c/d,this.guidePointsSmall[0].y+this.D[1]*c/d,this.guidePointsSmall[0].z+this.D[2]*c/d);r.scale(this.D,4);this.guidePointsLarge[0]=new e.Atom("",b[0]-this.D[0]/2,b[1]-this.D[1]/2,b[2]-this.D[2]/2);for(c=1;c<d;c++)this.guidePointsLarge[c]=new e.Atom("",this.guidePointsLarge[0].x+this.D[0]*c/d,this.guidePointsLarge[0].y+this.D[1]*c/d,this.guidePointsLarge[0].z+
this.D[2]*c/d)};d.getGuidePointSet=function(b){if(0===b)return this.helix||this.sheet?this.guidePointsLarge:this.guidePointsSmall;if(1===b)return this.guidePointsSmall;if(2===b)return this.guidePointsLarge};d.computeLineSegments=function(b,d,a,g,m){this.setVerticalResolution(m);this.split=a.helix!==this.helix||a.sheet!==this.sheet;this.lineSegments=this.innerCompute(0,b,d,a,!1,m);g&&(this.lineSegmentsCartoon=this.innerCompute(this.helix||this.sheet?2:1,b,d,a,!0,m))};d.innerCompute=function(b,d,a,
g,m,v){let c=[];var h=this.getGuidePointSet(b);d=d.getGuidePointSet(b);a=a.getGuidePointSet(b);b=g.getGuidePointSet(b);for(let m=0,l=h.length;m<l;m++){g=n.multiply([d[m].x,d[m].y,d[m].z,1,a[m].x,a[m].y,a[m].z,1,h[m].x,h[m].y,h[m].z,1,b[m].x,b[m].y,b[m].z,1],k,[]);let l=[];for(let a=0;a<v;a++){for(let a=3;0<a;a--)for(let b=0;4>b;b++)g[4*a+b]+=g[4*(a-1)+b];l[a]=new e.Atom("",g[12]/g[15],g[13]/g[15],g[14]/g[15])}c[m]=l}if(m&&this.arrow)for(let e=0,l=v;e<l;e++){m=1.5-1.3*e/v;h=p.floor(this.horizontalResolution/
2);d=c[h];for(let l=0,k=c.length;l<k;l++)l!==h&&(a=d[e],b=c[l][e],g=[b.x-a.x,b.y-a.y,b.z-a.z],r.scale(g,m),b.x=a.x+g[0],b.y=a.y+g[1],b.z=a.z+g[2])}return c};d.setVerticalResolution=function(c){if(c!==b){{let d=c*c,a=c*c*c;k=n.multiply([-1/6,.5,-.5,1/6,.5,-1,.5,0,-.5,0,.5,0,1/6,2/3,1/6,0],[6/a,0,0,0,6/a,2/d,0,0,1/a,1/d,1/c,0,0,0,0,1],[]);b=c}}}})(ChemDoodle.structures,Math,ChemDoodle.lib.mat4,ChemDoodle.lib.vec3);
(function(e,p,n,r,d,k){p.Spectrum=function(){this.data=[];this.metadata=[];this.dataDisplay=[];this.memory={offsetTop:0,offsetLeft:0,offsetBottom:0,flipXAxis:!1,scale:1,width:0,height:0}};r=p.Spectrum.prototype;r.title=k;r.xUnit=k;r.yUnit=k;r.continuous=!0;r.integrationSensitivity=.01;r.draw=function(b,c,h,a){this.styles&&(c=this.styles);let g=5,m=0,k=0;b.fillStyle=c.text_color;b.textAlign="center";b.textBaseline="alphabetic";b.font=e.getFontString(c.text_font_size,c.text_font_families);this.xUnit&&
(k+=c.text_font_size,b.fillText(this.xUnit,h/2,a-2));this.yUnit&&c.plots_showYAxis&&(m+=c.text_font_size,b.save(),b.translate(c.text_font_size,a/2),b.rotate(-d.PI/2),b.fillText(this.yUnit,0,0),b.restore());this.title&&(g+=c.text_font_size,b.fillText(this.title,h/2,c.text_font_size));b.lineCap="square";k+=5+c.text_font_size;c.plots_showYAxis&&(m+=5+b.measureText("1000").width);c.plots_showGrid&&(b.strokeStyle=c.plots_gridColor,b.lineWidth=c.plots_gridLineWidth,b.strokeRect(m,g,h-m,a-k-g));b.textAlign=
"center";b.textBaseline="top";for(var l=this.maxX-this.minX,r=l/100,u=.001;u<r||25<l/u;)u*=10;l=0;r=c.plots_flipXAxis?h:0;for(var w=d.round(this.minX/u)*u;w<=this.maxX;w+=u/2){var n=this.getTransformedX(w,c,h,m);if(n>m)if(b.strokeStyle="black",b.lineWidth=1,0===l%2){b.beginPath();b.moveTo(n,a-k);b.lineTo(n,a-k+2);b.stroke();let d=w.toFixed(5);for(;"0"===d.charAt(d.length-1);)d=d.substring(0,d.length-1);"."===d.charAt(d.length-1)&&(d=d.substring(0,d.length-1));let f=b.measureText(d).width;c.plots_flipXAxis&&
(f*=-1);let h=n-f/2;if(c.plots_flipXAxis?h<r:h>r)b.fillText(d,n,a-k+2),r=n+f/2;c.plots_showGrid&&(b.strokeStyle=c.plots_gridColor,b.lineWidth=c.plots_gridLineWidth,b.beginPath(),b.moveTo(n,a-k),b.lineTo(n,g),b.stroke())}else b.beginPath(),b.moveTo(n,a-k),b.lineTo(n,a-k+2),b.stroke();l++}if(c.plots_showYAxis||c.plots_showGrid)for(u=1/c.scale,b.textAlign="right",b.textBaseline="middle",l=0;10>=l;l++)if(w=u/10*l,r=g+(a-k-g)*(1-w*c.scale),c.plots_showGrid&&(b.strokeStyle=c.plots_gridColor,b.lineWidth=
c.plots_gridLineWidth,b.beginPath(),b.moveTo(m,r),b.lineTo(h,r),b.stroke()),c.plots_showYAxis){b.strokeStyle="black";b.lineWidth=1;b.beginPath();b.moveTo(m,r);b.lineTo(m-3,r);b.stroke();n=100*w;w=d.max(0,3-d.floor(n).toString().length);n=n.toFixed(w);if(0<w)for(;"0"===n.charAt(n.length-1);)n=n.substring(0,n.length-1);"."===n.charAt(n.length-1)&&(n=n.substring(0,n.length-1));b.fillText(n,m-3,r)}b.strokeStyle="black";b.lineWidth=1;b.beginPath();b.moveTo(h,a-k);b.lineTo(m,a-k);c.plots_showYAxis&&b.lineTo(m,
g);b.stroke();if(0<this.dataDisplay.length){b.textAlign="left";b.textBaseline="top";u=0;for(let a=0,f=this.dataDisplay.length;a<f;a++)if(this.dataDisplay[a].value)b.fillText([this.dataDisplay[a].display,": ",this.dataDisplay[a].value].join(""),m+10,g+10+u*(c.text_font_size+5)),u++;else if(this.dataDisplay[a].tag)for(let f=0,d=this.metadata.length;f<d;f++)if(this.metadata[f].startsWith(this.dataDisplay[a].tag)){l=this.metadata[f];this.dataDisplay[a].display&&(l=this.metadata[f].indexOf("\x3d"),l=[this.dataDisplay[a].display,
": ",-1<l?this.metadata[f].substring(l+2):this.metadata[f]].join(""));b.fillText(l,m+10,g+10+u*(c.text_font_size+5));u++;break}}this.drawPlot(b,c,h,a,g,m,k);this.memory.offsetTop=g;this.memory.offsetLeft=m;this.memory.offsetBottom=k;this.memory.flipXAxis=c.plots_flipXAxis;this.memory.scale=c.scale;this.memory.width=h;this.memory.height=a};r.drawPlot=function(b,c,h,a,g,m,e){this.styles&&(c=this.styles);b.strokeStyle=c.plots_color;b.lineWidth=c.plots_width;let l=[];b.save();b.rect(m,g,h-m,a-e-g);b.clip();
b.beginPath();if(this.continuous){var v=!1,u=0,w=!1;for(let r=0,n=this.data.length;r<n;r++){let f=this.getTransformedX(this.data[r].x,c,h,m),q;r<n&&!v&&this.data[r+1]&&(q=this.getTransformedX(this.data[r+1].x,c,h,m));if(f>=m&&f<h||q!==k&&q>=m&&q<h){let h=this.getTransformedY(this.data[r].y,c,a,e,g);c.plots_showIntegration&&d.abs(this.data[r].y)>this.integrationSensitivity&&l.push(new p.Point(this.data[r].x,this.data[r].y));v||(b.moveTo(f,h),v=!0);b.lineTo(f,h);u++;0===u%1E3&&(b.stroke(),b.beginPath(),
b.moveTo(f,h));if(w)break}else v&&(w=!0)}}else for(let d=0,k=this.data.length;d<k;d++)v=this.getTransformedX(this.data[d].x,c,h,m),v>=m&&v<h&&(b.moveTo(v,a-e),b.lineTo(v,this.getTransformedY(this.data[d].y,c,a,e,g)));b.stroke();if(c.plots_showIntegration&&1<l.length){b.strokeStyle=c.plots_integrationColor;b.lineWidth=c.plots_integrationLineWidth;b.beginPath();v=l[1].x>l[0].x;if(this.flipXAxis&&!v||!this.flipXAxis&&v){for(v=l.length-2;0<=v;v--)l[v].y+=l[v+1].y;v=l[0].y}else{for(let a=1,b=l.length;a<
b;a++)l[a].y+=l[a-1].y;v=l[l.length-1].y}for(let d=0,k=l.length;d<k;d++)u=this.getTransformedX(l[d].x,c,h,m),w=this.getTransformedY(l[d].y/c.scale/v,c,a,e,g),0===d?b.moveTo(u,w):b.lineTo(u,w);b.stroke()}b.restore()};r.getTransformedY=function(b,c,d,a,g){return g+(d-a-g)*(1-b*c.scale)};r.getInverseTransformedY=function(b){return(1-(b-this.memory.offsetTop)/(this.memory.height-this.memory.offsetBottom-this.memory.offsetTop))/this.memory.scale*100};r.getTransformedX=function(b,c,d,a){b=a+(b-this.minX)/
(this.maxX-this.minX)*(d-a);c.plots_flipXAxis&&(b=d+a-b);return b};r.getInverseTransformedX=function(b){this.memory.flipXAxis&&(b=this.memory.width+this.memory.offsetLeft-b);return(b-this.memory.offsetLeft)*(this.maxX-this.minX)/(this.memory.width-this.memory.offsetLeft)+this.minX};r.setup=function(){let b=Number.MAX_VALUE,c=Number.MIN_VALUE,h=Number.MIN_VALUE;for(let a=0,g=this.data.length;a<g;a++)b=d.min(b,this.data[a].x),c=d.max(c,this.data[a].x),h=d.max(h,this.data[a].y);this.continuous?(this.minX=
b,this.maxX=c):(this.minX=b-1,this.maxX=c+1);for(let a=0,b=this.data.length;a<b;a++)this.data[a].y/=h};r.zoom=function(b,c,h,a){b=this.getInverseTransformedX(b);c=this.getInverseTransformedX(c);this.minX=d.min(b,c);this.maxX=d.max(b,c);if(a){a=Number.MIN_VALUE;for(let b=0,c=this.data.length;b<c;b++)n.isBetween(this.data[b].x,this.minX,this.maxX)&&(a=d.max(a,this.data[b].y));return 1/a}};r.translate=function(b,c){b=b/(c-this.memory.offsetLeft)*(this.maxX-this.minX)*(this.memory.flipXAxis?1:-1);this.minX+=
b;this.maxX+=b};r.alertMetadata=function(){alert(this.metadata.join("\n"))};r.getInternalCoordinates=function(b,c){return new ChemDoodle.structures.Point(this.getInverseTransformedX(b),this.getInverseTransformedY(c))};r.getClosestPlotInternalCoordinates=function(b){var c=this.getInverseTransformedX(b-1);b=this.getInverseTransformedX(b+1);if(c>b){var d=c;c=b;b=d}d=-1;let a=-Infinity,g=!1;for(let h=0,e=this.data.length;h<e;h++){let m=this.data[h];if(n.isBetween(m.x,c,b))m.y>a&&(g=!0,a=m.y,d=h);else if(g)break}if(-1===
d)return k;c=this.data[d];return new ChemDoodle.structures.Point(c.x,100*c.y)};r.getClosestPeakInternalCoordinates=function(b){var c=this.getInverseTransformedX(b);b=0;var h=Infinity;for(let g=0,e=this.data.length;g<e;g++){var a=d.abs(this.data[g].x-c);if(a<=h)h=a,b=g;else break}h=c=b;a=this.data[b].y;var g=this.data[b].y;for(let a=b+1,c=this.data.length;a<c;a++)if(this.data[a].y+.05>g)g=this.data[a].y,h=a;else break;for(g=b-1;0<=g;g--)if(this.data[g].y+.05>a)a=this.data[g].y,c=g;else break;b=this.data[c-
b>h-b?h:c];return new ChemDoodle.structures.Point(b.x,100*b.y)}})(ChemDoodle.extensions,ChemDoodle.structures,ChemDoodle.math,ChemDoodle.lib.jQuery,Math);
(function(e,p,n,r){p._Shape=function(){};p=p._Shape.prototype;p.drawDecorations=function(d,e){if(this.isHover){let b=this.getPoints();for(let c=0,h=b.length;c<h;c++){let a=b[c];this.drawAnchor(d,e,a,a===this.hoverPoint)}}};p.getBounds=function(){let d=new e.Bounds,k=this.getPoints();for(let b=0,c=k.length;b<c;b++){let c=k[b];d.expand(c.x,c.y)}return d};p.drawAnchor=function(d,e,b,c){d.save();d.translate(b.x,b.y);d.rotate(n.PI/4);d.scale(1/e.scale,1/e.scale);d.beginPath();d.moveTo(-4,-4);d.lineTo(4,
-4);d.lineTo(4,4);d.lineTo(-4,4);d.closePath();d.fillStyle=c?e.colorHover:"white";d.fill();d.beginPath();d.moveTo(-4,-2);d.lineTo(-4,-4);d.lineTo(-2,-4);d.moveTo(2,-4);d.lineTo(4,-4);d.lineTo(4,-2);d.moveTo(4,2);d.lineTo(4,4);d.lineTo(2,4);d.moveTo(-2,4);d.lineTo(-4,4);d.lineTo(-4,2);d.moveTo(-4,-2);d.strokeStyle="rgba(0,0,0,.2)";d.lineWidth=5;d.stroke();d.strokeStyle="blue";d.lineWidth=1;d.stroke();d.restore()}})(ChemDoodle.math,ChemDoodle.structures.d2,Math);
(function(e,p,n,r,d,k){r.AtomMapping=function(b,c){this.o1=b;this.o2=c;this.label="0";this.error=!1};p=r.AtomMapping.prototype=new r._Shape;p.drawDecorations=function(b,c){if(this.isHover||this.isSelected)b.strokeStyle=this.isHover?c.colorHover:c.colorSelect,b.lineWidth=1,b.beginPath(),b.moveTo(this.o1.x,this.o1.y),b.lineTo(this.o2.x,this.o2.y),b.setLineDash([2]),b.stroke(),b.setLineDash([])};p.draw=function(b,c){if(this.o1&&this.o2){this.x1=this.o1.x+14*d.cos(this.o1.angleOfLeastInterference);this.y1=
this.o1.y-14*d.sin(this.o1.angleOfLeastInterference);this.x2=this.o2.x+14*d.cos(this.o2.angleOfLeastInterference);this.y2=this.o2.y-14*d.sin(this.o2.angleOfLeastInterference);b.font=e.getFontString(c.text_font_size,c.text_font_families,c.text_font_bold,c.text_font_italic);let h=this.label,a=b.measureText(h).width;this.isLassoed&&(b.fillStyle=c.colorHover,b.fillRect(this.x1-a/2-3,this.y1-c.text_font_size/2-3,a+6,c.text_font_size+6),b.fillRect(this.x2-a/2-3,this.y2-c.text_font_size/2-3,a+6,c.text_font_size+
6));let g=this.error?c.colorError:c.shapes_color;if(this.isHover||this.isSelected)g=this.isHover?c.colorHover:c.colorSelect;b.fillStyle=g;b.fillRect(this.x1-a/2-1,this.y1-c.text_font_size/2-1,a+2,c.text_font_size+2);b.fillRect(this.x2-a/2-1,this.y2-c.text_font_size/2-1,a+2,c.text_font_size+2);b.textAlign="center";b.textBaseline="middle";b.fillStyle=c.backgroundColor;b.fillText(h,this.x1,this.y1);b.fillText(h,this.x2,this.y2)}};p.getPoints=function(){return[new n.Point(this.x1,this.y1),new n.Point(this.x2,
this.y2)]};p.isOver=function(b,c){return this.x1?b.distance({x:this.x1,y:this.y1})<c||b.distance({x:this.x2,y:this.y2})<c:!1}})(ChemDoodle.extensions,ChemDoodle.math,ChemDoodle.structures,ChemDoodle.structures.d2,Math);
(function(e,p,n,r,d,k){r.Bracket=function(b,c){this.p1=b?b:new n.Point;this.p2=c?c:new n.Point};r=r.Bracket.prototype=new r._Shape;r.charge=0;r.mult=0;r.repeat=0;r.draw=function(b,c){let h=d.min(this.p1.x,this.p2.x),a=d.max(this.p1.x,this.p2.x),g=d.min(this.p1.y,this.p2.y),m=d.max(this.p1.y,this.p2.y),k=m-g;var l=k/10;b.beginPath();b.moveTo(h+l,g);b.lineTo(h,g);b.lineTo(h,m);b.lineTo(h+l,m);b.moveTo(a-l,m);b.lineTo(a,m);b.lineTo(a,g);b.lineTo(a-l,g);this.isLassoed&&(l=b.createLinearGradient(this.p1.x,
this.p1.y,this.p2.x,this.p2.y),l.addColorStop(0,"rgba(212, 99, 0, 0)"),l.addColorStop(.5,"rgba(212, 99, 0, 0.8)"),l.addColorStop(1,"rgba(212, 99, 0, 0)"),b.lineWidth=c.shapes_lineWidth+5,b.strokeStyle=l,b.lineJoin="miter",b.lineCap="square",b.stroke());b.strokeStyle=c.shapes_color;b.lineWidth=c.shapes_lineWidth;b.lineJoin="miter";b.lineCap="butt";b.stroke();0!==this.charge&&(b.fillStyle=c.text_color,b.textAlign="left",b.textBaseline="alphabetic",b.font=e.getFontString(c.text_font_size,c.text_font_families),
l=this.charge.toFixed(0),l="1"===l?"+":"-1"===l?"\u2013":l.startsWith("-")?l.substring(1)+"\u2013":l+"+",b.fillText(l,a+5,g+5));0!==this.mult&&(b.fillStyle=c.text_color,b.textAlign="right",b.textBaseline="middle",b.font=e.getFontString(c.text_font_size,c.text_font_families),b.fillText(this.mult.toFixed(0),h-5,g+k/2));0!==this.repeat&&(b.fillStyle=c.text_color,b.textAlign="left",b.textBaseline="top",b.font=e.getFontString(c.text_font_size,c.text_font_families),c=this.repeat.toFixed(0),b.fillText(c,
a+5,m-5))};r.getPoints=function(){return[this.p1,this.p2]};r.isOver=function(b,c){return p.isBetween(b.x,this.p1.x,this.p2.x)&&p.isBetween(b.y,this.p1.y,this.p2.y)}})(ChemDoodle.extensions,ChemDoodle.math,ChemDoodle.structures,ChemDoodle.structures.d2,Math);
(function(e,p,n,r,d,k,b){d.RepeatUnit=function(b,a){this.b1=b;this.b2=a;this.n1=1;this.n2=4;this.contents=[];this.ps=[]};p=d.RepeatUnit.prototype=new d._Shape;p.drawDecorations=function(b,a){if(this.isHover)for(let c=0,d=this.contents.length;c<d;c++){a=this.contents[c];let g=b.createRadialGradient(a.x-1,a.y-1,0,a.x,a.y,7);g.addColorStop(0,"rgba(212, 99, 0, 0)");g.addColorStop(.7,"rgba(212, 99, 0, 0.8)");b.fillStyle=g;b.beginPath();b.arc(a.x,a.y,5,0,2*k.PI,!1);b.fill()}};let c=function(b,a,c,d,e){a=
[];var g=0<e.length?-1===e.indexOf(c.a1)?c.a2:c.a1:c.a1.distance(d.getCenter())<c.a2.distance(d.getCenter())?c.a1:c.a2;d=g.angle(c.getNeighbor(g));var h=d+k.PI/2;c=c.getLength()/(1<e.length?4:2);e=g.x+c*k.cos(d);g=g.y-c*k.sin(d);var m=10*k.cos(h),v=10*k.sin(h);h=e+m;c=g-v;e-=m;g+=v;v=-4*k.cos(d);var n=-4*k.sin(d);d=h+v;m=c-n;v=e+v;n=g-n;b.beginPath();b.moveTo(d,m);b.lineTo(h,c);b.lineTo(e,g);b.lineTo(v,n);b.stroke();a.push(new r.Point(h,c));a.push(new r.Point(e,g));return a};p.draw=function(b,a){if(this.b1&&
this.b2){var g=this.error?a.colorError:a.shapes_color;if(this.isHover||this.isSelected)g=this.isHover?a.colorHover:a.colorSelect;b.strokeStyle=g;b.fillStyle=b.strokeStyle;b.lineWidth=a.shapes_lineWidth;b.lineJoin="miter";b.lineCap="butt";g=c(b,a,this.b1,this.b2,this.contents);let d=c(b,a,this.b2,this.b1,this.contents);this.ps=g.concat(d);this.b1.getCenter().x>this.b2.getCenter().x?this.textPos=this.ps[0].x>this.ps[1].x+5?this.ps[0]:this.ps[1]:this.textPos=this.ps[2].x>this.ps[3].x+5?this.ps[2]:this.ps[3];
!this.error&&0<this.contents.length&&(b.font=e.getFontString(a.text_font_size,a.text_font_families,a.text_font_bold,a.text_font_italic),b.fillStyle=this.isHover?a.colorHover:a.text_color,b.textAlign="left",b.textBaseline="bottom",b.fillText(this.n1+"-"+this.n2,this.textPos.x+2,this.textPos.y+2))}};p.getPoints=function(){return this.ps};p.isOver=function(b,a){return!1};p.setContents=function(c){this.contents=[];let a=c.getMoleculeByAtom(this.b1.a1);c=c.getMoleculeByAtom(this.b2.a1);if(a&&a===c){var g=
c=0;for(let b=0,e=a.rings.length;b<e;b++){var d=a.rings[b];for(let a=0,b=d.bonds.length;a<b;a++){var h=d.bonds[a];h===this.b1?c++:h===this.b2&&g++}}c=1===c&&1===g&&this.b1.ring===this.b2.ring;this.contents.flippable=c;if(this.b1.ring===b&&this.b2.ring===b||c)for(let b=0,e=a.atoms.length;b<e;b++){h=d=g=!1;for(let b=0,c=a.bonds.length;b<c;b++)a.bonds[b].visited=!1;let e=new r.Queue,m=a.atoms[b];for(e.enqueue(m);!(e.isEmpty()||g&&d);){let b=e.dequeue();c&&(!this.flip&&b===this.b1.a1||this.flip&&b===
this.b1.a2)&&(h=!0);for(let c=0,f=a.bonds.length;c<f;c++){let f=a.bonds[c];if(f.a1===b||f.a2===b)f===this.b1?g=!0:f===this.b2?d=!0:f.visited||(f.visited=!0,e.enqueue(f.getNeighbor(b)))}}g&&d&&(!c||h)&&this.contents.push(m)}}}})(ChemDoodle.extensions,ChemDoodle.math,ChemDoodle.lib.jsBezier,ChemDoodle.structures,ChemDoodle.structures.d2,Math);
(function(e,p,n,r,d,k){r.Line=function(b,d){this.p1=b?b:new n.Point;this.p2=d?d:new n.Point};r.Line.ARROW_SYNTHETIC="synthetic";r.Line.ARROW_RETROSYNTHETIC="retrosynthetic";r.Line.ARROW_RESONANCE="resonance";r.Line.ARROW_EQUILIBRIUM="equilibrium";let b=r.Line.prototype=new r._Shape;b.arrowType=k;b.topText=k;b.bottomText=k;b.draw=function(b,h){if(this.isLassoed){var a=b.createLinearGradient(this.p1.x,this.p1.y,this.p2.x,this.p2.y);a.addColorStop(0,"rgba(212, 99, 0, 0)");a.addColorStop(.5,"rgba(212, 99, 0, 0.8)");
a.addColorStop(1,"rgba(212, 99, 0, 0)");var c=this.p1.angle(this.p2)+d.PI/2,m=d.cos(c),k=d.sin(c);c=this.p1.x-2.5*m;var l=this.p1.y+2.5*k,n=this.p1.x+2.5*m,u=this.p1.y-2.5*k,w=this.p2.x+2.5*m,p=this.p2.y-2.5*k;m=this.p2.x-2.5*m;k=this.p2.y+2.5*k;b.fillStyle=a;b.beginPath();b.moveTo(c,l);b.lineTo(n,u);b.lineTo(w,p);b.lineTo(m,k);b.closePath();b.fill()}b.strokeStyle=h.shapes_color;b.fillStyle=h.shapes_color;b.lineWidth=h.shapes_lineWidth;b.lineJoin="miter";b.lineCap="butt";if(this.p1.x!==this.p2.x||
this.p1.y!==this.p2.y){if(this.arrowType===r.Line.ARROW_RETROSYNTHETIC){c=2*d.sqrt(2);a=h.shapes_arrowLength_2D/c;n=this.p1.angle(this.p2);u=n+d.PI/2;c=h.shapes_arrowLength_2D/c;l=d.cos(n);n=d.sin(n);let g=d.cos(u),e=d.sin(u);u=this.p1.x-g*a;w=this.p1.y+e*a;p=this.p1.x+g*a;m=this.p1.y-e*a;k=this.p2.x+g*a-l*c;var y=this.p2.y-e*a+n*c,f=this.p2.x-g*a-l*c,q=this.p2.y+e*a+n*c,A=this.p2.x+g*a*2-l*c*2;let v=this.p2.y-e*a*2+n*c*2;l=this.p2.x-g*a*2-l*c*2;a=this.p2.y+e*a*2+n*c*2;b.beginPath();b.moveTo(p,m);
b.lineTo(k,y);b.moveTo(A,v);b.lineTo(this.p2.x,this.p2.y);b.lineTo(l,a);b.moveTo(f,q);b.lineTo(u,w)}else this.arrowType===r.Line.ARROW_EQUILIBRIUM?(a=2*d.sqrt(2),y=h.shapes_arrowLength_2D/a/2,l=this.p1.angle(this.p2),u=l+d.PI/2,a=2*h.shapes_arrowLength_2D/d.sqrt(3),c=d.cos(l),l=d.sin(l),n=d.cos(u),u=d.sin(u),w=this.p1.x-n*y,p=this.p1.y+u*y,f=this.p1.x+n*y,q=this.p1.y-u*y,m=this.p2.x+n*y,k=this.p2.y-u*y,A=this.p2.x-n*y,y=this.p2.y+u*y,b.beginPath(),b.moveTo(f,q),b.lineTo(m,k),b.moveTo(A,y),b.lineTo(w,
p),b.stroke(),y=m-c*a*.8,f=k+l*a*.8,q=m+n*h.shapes_arrowLength_2D/3-c*a,A=k-u*h.shapes_arrowLength_2D/3+l*a,b.beginPath(),b.moveTo(m,k),b.lineTo(q,A),b.lineTo(y,f),b.closePath(),b.fill(),b.stroke(),y=w+c*a*.8,f=p-l*a*.8,q=w-n*h.shapes_arrowLength_2D/3+c*a,A=p+u*h.shapes_arrowLength_2D/3-l*a,b.beginPath(),b.moveTo(w,p),b.lineTo(q,A),b.lineTo(y,f),b.closePath(),b.fill()):this.arrowType===r.Line.ARROW_SYNTHETIC?(l=this.p1.angle(this.p2),n=l+d.PI/2,a=2*h.shapes_arrowLength_2D/d.sqrt(3),c=d.cos(l),l=d.sin(l),
m=d.cos(n),k=d.sin(n),b.beginPath(),b.moveTo(this.p1.x,this.p1.y),b.lineTo(this.p2.x-c*a/2,this.p2.y+l*a/2),b.stroke(),n=this.p2.x-c*a*.8,u=this.p2.y+l*a*.8,w=this.p2.x+m*h.shapes_arrowLength_2D/3-c*a,p=this.p2.y-k*h.shapes_arrowLength_2D/3+l*a,c=this.p2.x-m*h.shapes_arrowLength_2D/3-c*a,a=this.p2.y+k*h.shapes_arrowLength_2D/3+l*a,b.beginPath(),b.moveTo(this.p2.x,this.p2.y),b.lineTo(c,a),b.lineTo(n,u),b.lineTo(w,p),b.closePath(),b.fill()):this.arrowType===r.Line.ARROW_RESONANCE?(l=this.p1.angle(this.p2),
u=l+d.PI/2,a=2*h.shapes_arrowLength_2D/d.sqrt(3),c=d.cos(l),l=d.sin(l),n=d.cos(u),u=d.sin(u),b.beginPath(),b.moveTo(this.p1.x+c*a/2,this.p1.y-l*a/2),b.lineTo(this.p2.x-c*a/2,this.p2.y+l*a/2),b.stroke(),w=this.p2.x-c*a*.8,p=this.p2.y+l*a*.8,m=this.p2.x+n*h.shapes_arrowLength_2D/3-c*a,k=this.p2.y-u*h.shapes_arrowLength_2D/3+l*a,y=this.p2.x-n*h.shapes_arrowLength_2D/3-c*a,f=this.p2.y+u*h.shapes_arrowLength_2D/3+l*a,b.beginPath(),b.moveTo(this.p2.x,this.p2.y),b.lineTo(y,f),b.lineTo(w,p),b.lineTo(m,k),
b.closePath(),b.fill(),b.stroke(),w=this.p1.x+c*a*.8,p=this.p1.y-l*a*.8,m=this.p1.x-n*h.shapes_arrowLength_2D/3+c*a,k=this.p1.y+u*h.shapes_arrowLength_2D/3-l*a,y=this.p1.x+n*h.shapes_arrowLength_2D/3+c*a,f=this.p1.y-u*h.shapes_arrowLength_2D/3-l*a,b.beginPath(),b.moveTo(this.p1.x,this.p1.y),b.lineTo(y,f),b.lineTo(w,p),b.lineTo(m,k),b.closePath(),b.fill()):(b.beginPath(),b.moveTo(this.p1.x,this.p1.y),b.lineTo(this.p2.x,this.p2.y));b.stroke();if(this.topText||this.bottomText)b.font=e.getFontString(h.text_font_size,
h.text_font_families,h.text_font_bold,h.text_font_italic),b.fillStyle=h.text_color;this.topText&&(b.textAlign="center",b.textBaseline="bottom",b.fillText(this.topText,(this.p1.x+this.p2.x)/2,this.p1.y-5));this.bottomText&&(b.textAlign="center",b.textBaseline="top",b.fillText(this.bottomText,(this.p1.x+this.p2.x)/2,this.p1.y+5))}};b.getPoints=function(){return[this.p1,this.p2]};b.isOver=function(b,d){b=p.distanceFromPointToLineInclusive(b,this.p1,this.p2);return-1!==b&&b<d}})(ChemDoodle.extensions,
ChemDoodle.math,ChemDoodle.structures,ChemDoodle.structures.d2,Math);
(function(e,p,n,r,d,k){let b=function(a){let b=[];if(a instanceof n.Atom)if(0===a.bondNumber)b.push(d.PI);else{if(a.angles){if(1===a.angles.length)b.push(a.angles[0]+d.PI);else{for(let c=1,g=a.angles.length;c<g;c++)b.push(a.angles[c-1]+(a.angles[c]-a.angles[c-1])/2);var c=a.angles[a.angles.length-1];b.push(c+(a.angles[0]+2*d.PI-c)/2)}a.largestAngle>d.PI&&(b=[a.angleOfLeastInterference]);if(a.bonds)for(let g=0,d=a.bonds.length;g<d;g++)if(c=a.bonds[g],2===c.bondOrder&&(c=c.getNeighbor(a),"O"===c.label)){b=
[c.angle(a)];break}}}else a=a.a1.angle(a.a2),b.push(a+d.PI/2),b.push(a+3*d.PI/2);for(let a=0,c=b.length;a<c;a++){for(;b[a]>2*d.PI;)b[a]-=2*d.PI;for(;0>b[a];)b[a]+=2*d.PI}return b},c=function(a,b){let c=3;if(a instanceof n.Atom){if(a.isLabelVisible(b)&&(c=8),0!==a.charge||0!==a.numRadical||0!==a.numLonePair)c=13}else a instanceof n.Point?c=0:1<a.bondOrder&&(c=5);return c},h=function(a,b,h,e,k,r,u,w,p,y){var f=r.angle(k),g=u.angle(w),m=d.cos(f);f=d.sin(f);var l=c(h,b);k.x-=m*l;k.y+=f*l;l=g+d.PI/2;h=
2*b.shapes_arrowLength_2D/d.sqrt(3);m=d.cos(g);f=d.sin(g);let v=d.cos(l),x=d.sin(l);w.x-=5*m;w.y+=5*f;g=new n.Point(w.x,w.y);l=c(e,b)/3;g.x-=m*l;g.y+=f*l;w.x-=m*(.8*h+l);w.y+=f*(.8*h+l);e=g.x-m*h*.8;l=g.y+f*h*.8;let z=new n.Point(g.x+v*b.shapes_arrowLength_2D/3-m*h,g.y-x*b.shapes_arrowLength_2D/3+f*h);b=new n.Point(g.x-v*b.shapes_arrowLength_2D/3-m*h,g.y+x*b.shapes_arrowLength_2D/3+f*h);f=m=!0;1===p&&(z.distance(r)>b.distance(r)?f=!1:m=!1);a.beginPath();a.moveTo(g.x,g.y);f&&a.lineTo(b.x,b.y);a.lineTo(e,
l);m&&a.lineTo(z.x,z.y);a.closePath();a.fill();a.stroke();a.beginPath();a.moveTo(k.x,k.y);a.bezierCurveTo(r.x,r.y,u.x,u.y,w.x,w.y);a.stroke();y.push([k,r,u,w])};r.Pusher=function(a,b,c){this.o1=a;this.o2=b;this.numElectron=c?c:1};r=r.Pusher.prototype=new r._Shape;r.drawDecorations=function(a,b){if(this.isHover){var c=this.o1 instanceof n.Atom?new n.Point(this.o1.x,this.o1.y):this.o1.getCenter(),g=this.o2 instanceof n.Atom?new n.Point(this.o2.x,this.o2.y):this.o2.getCenter();c=[c,g];for(let d=0,h=
c.length;d<h;d++)g=c[d],this.drawAnchor(a,b,g,g===this.hoverPoint)}};r.draw=function(a,c){if(this.o1&&this.o2){a.strokeStyle=c.shapes_color;a.fillStyle=c.shapes_color;a.lineWidth=c.shapes_lineWidth;a.lineJoin="miter";a.lineCap="butt";let m=this.o1 instanceof n.Atom?new n.Point(this.o1.x,this.o1.y):this.o1.getCenter(),v=this.o2 instanceof n.Atom?new n.Point(this.o2.x,this.o2.y):this.o2.getCenter();var g=b(this.o1),k=b(this.o2);let f,q;var l=Infinity;for(let a=0,b=g.length;a<b;a++)for(let b=0,c=k.length;b<
c;b++){var r=new n.Point(m.x+35*d.cos(g[a]),m.y-35*d.sin(g[a])),u=new n.Point(v.x+35*d.cos(k[b]),v.y-35*d.sin(k[b])),w=r.distance(u);w<l&&(l=w,f=r,q=u)}this.caches=[];-1===this.numElectron?(r=m.distance(v)/2,k=m.angle(v),g=k+d.PI/2,u=d.cos(k),w=d.sin(k),k=new n.Point(m.x+(r-1)*u,m.y-(r-1)*w),l=new n.Point(k.x+35*d.cos(g+d.PI/6),k.y-35*d.sin(g+d.PI/6)),r=new n.Point(m.x+(r+1)*u,m.y-(r+1)*w),g=new n.Point(r.x+35*d.cos(g-d.PI/6),r.y-35*d.sin(g-d.PI/6)),h(a,c,this.o1,k,m,f,l,k,1,this.caches),h(a,c,this.o2,
r,v,q,g,r,1,this.caches)):(e.intersectLines(m.x,m.y,f.x,f.y,v.x,v.y,q.x,q.y)&&(g=f,f=q,q=g),g=f.angle(m),k=q.angle(v),l=d.max(g,k)-d.min(g,k),.001>d.abs(l-d.PI)&&this.o1.molCenter===this.o2.molCenter&&(g+=d.PI/2,k-=d.PI/2,f.x=m.x+35*d.cos(g+d.PI),f.y=m.y-35*d.sin(g+d.PI),q.x=v.x+35*d.cos(k+d.PI),q.y=v.y-35*d.sin(k+d.PI)),h(a,c,this.o1,this.o2,m,f,q,v,this.numElectron,this.caches))}};r.getPoints=function(){return[]};r.isOver=function(a,b){for(let c=0,g=this.caches.length;c<g;c++)if(p.distanceFromCurve(a,
this.caches[c]).distance<b)return!0;return!1}})(ChemDoodle.math,ChemDoodle.lib.jsBezier,ChemDoodle.structures,ChemDoodle.structures.d2,Math);
(function(e,p,n,r,d){let k=new p.Bond;n.VAP=function(b,c){this.asterisk=new p.Atom("O",b,c);this.substituent;this.bondType=1;this.attachments=[]};e=n.VAP.prototype=new n._Shape;e.drawDecorations=function(b,c){if(this.isHover||this.isSelected){b.strokeStyle=this.isHover?c.colorHover:c.colorSelect;b.lineWidth=1.2;if(this.hoverBond){let d=2*r.PI,a=(this.asterisk.angleForStupidCanvasArcs(this.hoverBond)+r.PI/2)%d;b.strokeStyle=this.isHover?c.colorHover:c.colorSelect;b.beginPath();c=(a+r.PI)%d;c%=2*r.PI;
b.arc(this.asterisk.x,this.asterisk.y,7,a,c,!1);b.stroke();b.beginPath();a+=r.PI;c=(a+r.PI)%d;b.arc(this.hoverBond.x,this.hoverBond.y,7,a,c,!1)}else b.beginPath(),b.arc(this.asterisk.x,this.asterisk.y,7,0,2*r.PI,!1);b.stroke()}};e.draw=function(b,c){b.strokeStyle=this.error?c.colorError:c.shapes_color;b.lineWidth=1;var d=r.sqrt(3)/2;b.beginPath();b.moveTo(this.asterisk.x,this.asterisk.y-4);b.lineTo(this.asterisk.x,this.asterisk.y+4);b.moveTo(this.asterisk.x-4*d,this.asterisk.y-2);b.lineTo(this.asterisk.x+
4*d,this.asterisk.y+2);b.moveTo(this.asterisk.x-4*d,this.asterisk.y+2);b.lineTo(this.asterisk.x+4*d,this.asterisk.y-2);b.stroke();this.asterisk.textBounds=[];this.asterisk.textBounds.push({x:this.asterisk.x-4,y:this.asterisk.y-4,w:8,h:8});d=c.bonds_color;this.error&&(c.bonds_color=c.colorError);k.a1=this.asterisk;this.substituent&&(k.a2=this.substituent,k.bondOrder=this.bondType,k.draw(b,c));k.bondOrder=0;this.error||(c.bonds_color=c.shapes_color);for(let a=0,g=this.attachments.length;a<g;a++)k.a2=
this.attachments[a],k.draw(b,c);c.bonds_color=d};e.getPoints=function(){return[this.asterisk]};e.isOver=function(b,c){return!1}})(ChemDoodle.math,ChemDoodle.structures,ChemDoodle.structures.d2,Math);
(function(e,p,n){e._Mesh=function(){};e=e._Mesh.prototype;e.storeData=function(e,d,k){this.positionData=e;this.normalData=d;this.indexData=k};e.setupBuffers=function(e){this.vertexPositionBuffer=e.createBuffer();e.bindBuffer(e.ARRAY_BUFFER,this.vertexPositionBuffer);e.bufferData(e.ARRAY_BUFFER,new Float32Array(this.positionData),e.STATIC_DRAW);this.vertexPositionBuffer.itemSize=3;this.vertexPositionBuffer.numItems=this.positionData.length/3;this.vertexNormalBuffer=e.createBuffer();e.bindBuffer(e.ARRAY_BUFFER,
this.vertexNormalBuffer);e.bufferData(e.ARRAY_BUFFER,new Float32Array(this.normalData),e.STATIC_DRAW);this.vertexNormalBuffer.itemSize=3;this.vertexNormalBuffer.numItems=this.normalData.length/3;this.indexData&&(this.vertexIndexBuffer=e.createBuffer(),e.bindBuffer(e.ELEMENT_ARRAY_BUFFER,this.vertexIndexBuffer),e.bufferData(e.ELEMENT_ARRAY_BUFFER,new Uint16Array(this.indexData),e.STATIC_DRAW),this.vertexIndexBuffer.itemSize=1,this.vertexIndexBuffer.numItems=this.indexData.length);if(this.partitions)for(let d=
0,k=this.partitions.length;d<k;d++){let b=this.partitions[d],c=this.generateBuffers(e,b.positionData,b.normalData,b.indexData);b.vertexPositionBuffer=c[0];b.vertexNormalBuffer=c[1];b.vertexIndexBuffer=c[2]}};e.generateBuffers=function(e,d,k,b){let c=e.createBuffer();e.bindBuffer(e.ARRAY_BUFFER,c);e.bufferData(e.ARRAY_BUFFER,new Float32Array(d),e.STATIC_DRAW);c.itemSize=3;c.numItems=d.length/3;d=e.createBuffer();e.bindBuffer(e.ARRAY_BUFFER,d);e.bufferData(e.ARRAY_BUFFER,new Float32Array(k),e.STATIC_DRAW);
d.itemSize=3;d.numItems=k.length/3;let h;b&&(h=e.createBuffer(),e.bindBuffer(e.ELEMENT_ARRAY_BUFFER,h),e.bufferData(e.ELEMENT_ARRAY_BUFFER,new Uint16Array(b),e.STATIC_DRAW),h.itemSize=1,h.numItems=b.length);return[c,d,h]};e.bindBuffers=function(e){this.vertexPositionBuffer||this.setupBuffers(e);e.bindBuffer(e.ARRAY_BUFFER,this.vertexPositionBuffer);e.vertexAttribPointer(e.shader.vertexPositionAttribute,this.vertexPositionBuffer.itemSize,e.FLOAT,!1,0,0);e.bindBuffer(e.ARRAY_BUFFER,this.vertexNormalBuffer);
e.vertexAttribPointer(e.shader.vertexNormalAttribute,this.vertexNormalBuffer.itemSize,e.FLOAT,!1,0,0);this.vertexIndexBuffer&&e.bindBuffer(e.ELEMENT_ARRAY_BUFFER,this.vertexIndexBuffer)}})(ChemDoodle.structures.d3,Math);
(function(e,p){e._Measurement=function(){};e=e._Measurement.prototype=new e._Mesh;e.render=function(e,r){e.shader.setMatrixUniforms(e);r.measurement_update_3D&&(this.text=this.vertexPositionBuffer=p);this.vertexPositionBuffer||this.calculateData(r);this.bindBuffers(e);e.material.setDiffuseColor(e,r.shapes_color);e.lineWidth(r.shapes_lineWidth);e.drawElements(e.LINES,this.vertexIndexBuffer.numItems,e.UNSIGNED_SHORT,0)};e.renderText=function(e,r){e.shader.setMatrixUniforms(e);this.text||(this.text=
this.getText(r));r={position:[],texCoord:[],translation:[]};e.textImage.pushVertexData(this.text.value,this.text.pos,1,r);e.textMesh.storeData(e,r.position,r.texCoord,r.translation);e.textImage.useTexture(e);e.textMesh.render(e)}})(ChemDoodle.structures.d3);
(function(e,p,n,r,d,k,b,c){n.Angle=function(b,a,c){this.a1=b;this.a2=a;this.a3=c};e=n.Angle.prototype=new n._Measurement;e.calculateData=function(c){let a=[],g=[],h=[];var e=this.a2.distance3D(this.a1),k=this.a2.distance3D(this.a3);this.distUse=d.min(e,k)/2;this.vec1=b.normalize([this.a1.x-this.a2.x,this.a1.y-this.a2.y,this.a1.z-this.a2.z]);this.vec2=b.normalize([this.a3.x-this.a2.x,this.a3.y-this.a2.y,this.a3.z-this.a2.z]);this.angle=p.vec3AngleFrom(this.vec1,this.vec2);e=b.normalize(b.cross(this.vec1,
this.vec2,[]));e=b.normalize(b.cross(e,this.vec1,[]));c=c.measurement_angleBands_3D;for(k=0;k<=c;++k){var n=this.angle*k/c,u=b.scale(this.vec1,d.cos(n),[]);n=b.scale(e,d.sin(n),[]);u=b.scale(b.normalize(b.add(u,n,[])),this.distUse);a.push(this.a2.x+u[0],this.a2.y+u[1],this.a2.z+u[2]);g.push(0,0,0);k<c&&h.push(k,k+1)}this.storeData(a,g,h)};e.getText=function(c){c=b.scale(b.normalize(b.add(this.vec1,this.vec2,[])),this.distUse+.3);return{pos:[this.a2.x+c[0],this.a2.y+c[1],this.a2.z+c[2]],value:[r.angleBounds(this.angle,
!0).toFixed(2)," \u00b0"].join("")}}})(ChemDoodle.ELEMENT,ChemDoodle.extensions,ChemDoodle.structures.d3,ChemDoodle.math,Math,ChemDoodle.lib.mat4,ChemDoodle.lib.vec3);
(function(e,p,n){e.Arrow=function(e,d){let k=[],b=[];for(var c=0;c<=d;c++){var h=2*c*p.PI/d,a=p.sin(h);h=p.cos(h);b.push(0,0,-1,0,0,-1,h,a,0,h,a,0,0,0,-1,0,0,-1,h,a,1,h,a,1);k.push(0,0,0,e*h,e*a,0,e*h,e*a,0,e*h,e*a,2,e*h,e*a,2,e*h*2,e*a*2,2,e*h*2,e*a*2,2,0,0,3)}e=[];for(c=0;c<d;c++){a=8*c;for(let b=0,c=7;b<c;b++){h=b+a;let g=h+c+2;e.push(h,g,h+1,g,h,g-1)}}this.storeData(k,b,e)};e.Arrow.prototype=new e._Mesh})(ChemDoodle.structures.d3,Math);
(function(e,p,n){e.Box=function(e,d,k){e/=2;k/=2;let b=[],c=[];b.push(e,d,-k);b.push(e,d,-k);b.push(-e,d,-k);b.push(e,d,k);b.push(-e,d,k);b.push(-e,d,k);for(var h=6;h--;c.push(0,1,0));b.push(-e,d,k);b.push(-e,d,k);b.push(-e,0,k);b.push(e,d,k);b.push(e,0,k);b.push(e,0,k);for(h=6;h--;c.push(0,0,1));b.push(e,d,k);b.push(e,d,k);b.push(e,0,k);b.push(e,d,-k);b.push(e,0,-k);b.push(e,0,-k);for(h=6;h--;c.push(1,0,0));b.push(e,d,-k);b.push(e,d,-k);b.push(e,0,-k);b.push(-e,d,-k);b.push(-e,0,-k);b.push(-e,0,
-k);for(h=6;h--;c.push(0,0,-1));b.push(-e,d,-k);b.push(-e,d,-k);b.push(-e,0,-k);b.push(-e,d,k);b.push(-e,0,k);b.push(-e,0,k);for(d=6;d--;c.push(-1,0,0));b.push(-e,0,k);b.push(-e,0,k);b.push(-e,0,-k);b.push(e,0,k);b.push(e,0,-k);b.push(e,0,-k);for(e=6;e--;c.push(0,-1,0));this.storeData(b,c)};e.Box.prototype=new e._Mesh})(ChemDoodle.structures.d3,Math);
(function(e,p,n,r,d,k){p.Camera=function(){this.fieldOfView=45;this.aspect=1;this.near=.1;this.far=1E4;this.zoom=1;this.viewMatrix=r.identity([]);this.projectionMatrix=r.identity([])};e=p.Camera.prototype;e.perspectiveProjectionMatrix=function(){let b=d.tan(this.fieldOfView/360*d.PI)*this.near*this.zoom,c=this.aspect*b;return r.frustum(-c,c,-b,b,this.near,this.far,this.projectionMatrix)};e.orthogonalProjectionMatrix=function(){let b=d.tan(this.fieldOfView/360*d.PI)*((this.far-this.near)/2+this.near)*
this.zoom,c=this.aspect*b;return r.ortho(-c,c,-b,b,this.near,this.far,this.projectionMatrix)};e.updateProjectionMatrix=function(b){return b?this.perspectiveProjectionMatrix():this.orthogonalProjectionMatrix()};e.focalLength=function(){return(this.far-this.near)/2+this.near};e.zoomOut=function(){this.zoom=d.min(1.25*this.zoom,200)};e.zoomIn=function(){this.zoom=d.max(this.zoom/1.25,.0025)}})(ChemDoodle.math,ChemDoodle.structures.d3,ChemDoodle.lib.vec3,ChemDoodle.lib.mat4,Math);
(function(e,p,n,r){e.LineArrow=function(){this.storeData([0,0,-3,.1,0,-2.8,0,0,-3,-.1,0,-2.8,0,0,-3,0,0,3,0,0,3,.1,0,2.8,0,0,3,-.1,0,2.8],[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0])};e.LineArrow.prototype=new e._Mesh;e.Compass=function(d,b){this.textImage=new e.TextImage;this.textImage.init(d);this.textImage.updateFont(d,b.text_font_size,b.text_font_families,b.text_font_bold,b.text_font_italic,b.text_font_stroke_3D);this.textMesh=new e.TextMesh;this.textMesh.init(d);var c=3/(b.compass_size_3D/
d.canvas.clientHeight),h=p.tan(b.projectionPerspectiveVerticalFieldOfView_3D/360*p.PI);let a=c/h,g=p.max(a-c,.1);var m=d.canvas.clientWidth/d.canvas.clientHeight;let k;if(b.projectionPerspective_3D){var l=g;k=n.frustum}else l=a,k=n.ortho;let r=l/d.canvas.clientHeight*2*h;h*=l;l=-h;let u=m*l;m*=h;if(0===b.compass_type_3D){let a=(-(d.canvas.clientWidth-b.compass_size_3D)/2+this.textImage.charHeight)*r;b=(-(d.canvas.clientHeight-b.compass_size_3D)/2+this.textImage.charHeight)*r;u-=a;m-=a;l-=b;h-=b}this.projectionMatrix=
k(u,m,l,h,g,a+c);this.translationMatrix=n.translate(n.identity([]),[0,0,-a]);c={position:[],texCoord:[],translation:[]};this.textImage.pushVertexData("X",[3.5,0,0],0,c);this.textImage.pushVertexData("Y",[0,3.5,0],0,c);this.textImage.pushVertexData("Z",[0,0,3.5],0,c);this.textMesh.storeData(d,c.position,c.texCoord,c.translation)};let d=e.Compass.prototype;d.renderArrow=function(d,b,c,h){d.material.setDiffuseColor(d,c);d.shader.setModelViewMatrix(d,h);1===b?d.drawArrays(d.LINES,0,d.lineArrowBuffer.vertexPositionBuffer.numItems):
d.drawElements(d.TRIANGLES,d.arrowBuffer.vertexIndexBuffer.numItems,d.UNSIGNED_SHORT,0)};d.render=function(d,b){d.shader.setProjectionMatrix(d,this.projectionMatrix);1===b.compass_type_3D?d.lineArrowBuffer.bindBuffers(d):d.arrowBuffer.bindBuffers(d);d.material.setTempColors(d,b.bonds_materialAmbientColor_3D,r,b.bonds_materialSpecularColor_3D,b.bonds_materialShininess_3D);let c=n.multiply(this.translationMatrix,d.rotationMatrix,[]),h=p.PI/2;this.renderArrow(d,b.compass_type_3D,b.compass_axisXColor_3D,
n.rotateY(c,h,[]));this.renderArrow(d,b.compass_type_3D,b.compass_axisYColor_3D,n.rotateX(c,-h,[]));this.renderArrow(d,b.compass_type_3D,b.compass_axisZColor_3D,c)};d.renderAxis=function(d){d.shader.setProjectionMatrix(d,this.projectionMatrix);let b=n.multiply(this.translationMatrix,d.rotationMatrix,[]);d.shader.setModelViewMatrix(d,b);this.textImage.useTexture(d);this.textMesh.render(d)}})(ChemDoodle.structures.d3,Math,ChemDoodle.lib.mat4);
(function(e,p,n){e.Cylinder=function(e,d,k,b){let c=[],h=[];if(b){for(b=0;b<=k;b++){var a=b%k*2*p.PI/k,g=p.cos(a);a=p.sin(a);h.push(0,-1,0);c.push(0,0,0);h.push(0,-1,0);c.push(e*g,0,e*a)}for(b=0;b<=k;b++)a=b%k*2*p.PI/k,g=p.cos(a),a=p.sin(a),h.push(g,0,a),c.push(e*g,0,e*a),h.push(g,0,a),c.push(e*g,d,e*a);for(b=0;b<=k;b++)a=b%k*2*p.PI/k,g=p.cos(a),a=p.sin(a),h.push(0,1,0),c.push(e*g,d,e*a),h.push(0,1,0),c.push(0,d,0)}else{for(b=0;b<k;b++)a=2*b*p.PI/k,g=p.cos(a),a=p.sin(a),h.push(g,0,a),c.push(e*g,0,
e*a),h.push(g,0,a),c.push(e*g,d,e*a);h.push(1,0,0);c.push(e,0,0);h.push(1,0,0);c.push(e,d,0)}this.storeData(c,h)};e.Cylinder.prototype=new e._Mesh})(ChemDoodle.structures.d3,Math);
(function(e,p,n,r,d){p.Distance=function(d,b,c,h){this.a1=d;this.a2=b;this.node=c;this.offset=h?h:0};p=p.Distance.prototype=new p._Measurement;p.calculateData=function(d){let b=[this.a1.x,this.a1.y,this.a1.z,this.a2.x,this.a2.y,this.a2.z];this.node&&(this.move=this.offset+n.max(d.atoms_useVDWDiameters_3D?e[this.a1.label].vdWRadius*d.atoms_vdwMultiplier_3D:d.atoms_sphereDiameter_3D/2,d.atoms_useVDWDiameters_3D?e[this.a2.label].vdWRadius*d.atoms_vdwMultiplier_3D:d.atoms_sphereDiameter_3D/2),this.displacement=
[(this.a1.x+this.a2.x)/2-this.node.x,(this.a1.y+this.a2.y)/2-this.node.y,(this.a1.z+this.a2.z)/2-this.node.z],r.normalize(this.displacement),d=r.scale(this.displacement,this.move,[]),b[0]+=d[0],b[1]+=d[1],b[2]+=d[2],b[3]+=d[0],b[4]+=d[1],b[5]+=d[2]);this.storeData(b,[0,0,0,0,0,0],[0,1])};p.getText=function(d){d=this.a1.distance3D(this.a2);let b=[(this.a1.x+this.a2.x)/2,(this.a1.y+this.a2.y)/2,(this.a1.z+this.a2.z)/2];if(this.node){let c=r.scale(this.displacement,this.move+.1,[]);b[0]+=c[0];b[1]+=
c[1];b[2]+=c[2]}return{pos:b,value:[d.toFixed(2)," \u212b"].join("")}}})(ChemDoodle.ELEMENT,ChemDoodle.structures.d3,Math,ChemDoodle.lib.vec3);(function(e,p,n,r){p.Fog=function(d,e,b,c){this.fogScene(d,e,b,c)};p.Fog.prototype.fogScene=function(d,k,b,c){this.colorRGB=e.getRGB(d,1);this.fogStart=k;this.fogEnd=b;this.density=c}})(ChemDoodle.math,ChemDoodle.structures.d3,ChemDoodle.lib.vec3);
(function(e,p,n){p.Label=function(e){};p=p.Label.prototype;p.updateVerticesBuffer=function(r,d,k){for(let m=0,v=d.length;m<v;m++){var b=d[m];let l=b.labelMesh;var c=b.atoms;let v={position:[],texCoord:[],translation:[]};var h=0<c.length&&c[0].hetatm!=n;for(let b=0,d=c.length;b<d;b++){var a=c[b],g=a.label;let d=.05;k.atoms_useVDWDiameters_3D?(g=e[g].vdWRadius*k.atoms_vdwMultiplier_3D,0===g&&(g=1),d+=g):k.atoms_sphereDiameter_3D&&(d+=k.atoms_sphereDiameter_3D/2*1.5);if(h)if(!a.hetatm){if(!k.macro_displayAtoms)continue}else if(a.isWater&&
!k.macro_showWaters)continue;r.textImage.pushVertexData(a.altLabel?a.altLabel:a.label,[a.x,a.y,a.z],d,v)}if((b=b.chains)&&(k.proteins_displayRibbon||k.proteins_displayBackbone))for(let g=0,d=b.length;g<d;g++){c=b[g];for(let b=0,g=c.length;b<g;b++)h=c[b],h.name&&(a=h.cp1,r.textImage.pushVertexData(h.name,[a.x,a.y,a.z],2,v))}l.storeData(r,v.position,v.texCoord,v.translation,v.zDepth)}};p.render=function(e,d,k){e.shader.setMatrixUniforms(e);e.textImage.useTexture(e);for(let b=0,c=k.length;b<c;b++)k[b].labelMesh&&
k[b].labelMesh.render(e)}})(ChemDoodle.ELEMENT,ChemDoodle.structures.d3);(function(e,p,n){e.Sphere=function(e,d,k){let b=[],c=[];for(var h=0;h<=d;h++){var a=h*p.PI/d,g=p.sin(a);a=p.cos(a);for(var m=0;m<=k;m++){var v=2*m*p.PI/k,l=p.sin(v);v=p.cos(v)*g;let d=a;l*=g;c.push(v,d,l);b.push(e*v,e*d,e*l)}}e=[];k+=1;for(h=0;h<d;h++)for(g=0;g<k;g++)a=h*k+g%k,m=a+k,e.push(a,a+1,m),g<k-1&&e.push(m,a+1,m+1);this.storeData(b,c,e)};e.Sphere.prototype=new e._Mesh})(ChemDoodle.structures.d3,Math);
(function(e,p,n,r,d){function k(b,d,a,g){this.entire=b;this.name=d;this.indexes=a;this.pi=g}let b=k.prototype;b.getColor=function(b){return b.macro_colorByChain?this.entire.chainColor:this.name?this.getResidueColor(e[this.name]?this.name:"*",b):this.helix?this.entire.front?b.proteins_ribbonCartoonHelixPrimaryColor:b.proteins_ribbonCartoonHelixSecondaryColor:this.sheet?b.proteins_ribbonCartoonSheetColor:this.entire.front?b.proteins_primaryColor:b.proteins_secondaryColor};b.getResidueColor=function(b,
d){b=e[b];if("shapely"===d.proteins_residueColor)return b.shapelyColor;if("amino"===d.proteins_residueColor)return b.aminoColor;if("polarity"===d.proteins_residueColor){if(b.polar)return"#C10000"}else if("acidity"===d.proteins_residueColor){if(1===b.acidity)return"#0000FF";if(-1===b.acidity)return"#FF0000";if(!b.polar)return"#773300"}return"#FFFFFF"};b.render=function(b,d,a){if(this.entire.partitions&&this.pi!==this.entire.partitions.lastRender){var c=this.entire.partitions[this.pi];b.bindBuffer(b.ARRAY_BUFFER,
c.vertexPositionBuffer);b.vertexAttribPointer(b.shader.vertexPositionAttribute,c.vertexPositionBuffer.itemSize,b.FLOAT,!1,0,0);b.bindBuffer(b.ARRAY_BUFFER,c.vertexNormalBuffer);b.vertexAttribPointer(b.shader.vertexNormalAttribute,c.vertexNormalBuffer.itemSize,b.FLOAT,!1,0,0);b.bindBuffer(b.ELEMENT_ARRAY_BUFFER,c.vertexIndexBuffer);this.entire.partitions.lastRender=this.pi}this.vertexIndexBuffer||(this.vertexIndexBuffer=b.createBuffer(),b.bindBuffer(b.ELEMENT_ARRAY_BUFFER,this.vertexIndexBuffer),b.bufferData(b.ELEMENT_ARRAY_BUFFER,
new Uint16Array(this.indexes),b.STATIC_DRAW),this.vertexIndexBuffer.itemSize=1,this.vertexIndexBuffer.numItems=this.indexes.length);b.bindBuffer(b.ELEMENT_ARRAY_BUFFER,this.vertexIndexBuffer);a||"rainbow"===d.proteins_residueColor||b.material.setDiffuseColor(b,this.getColor(d));b.drawElements(b.TRIANGLES,this.vertexIndexBuffer.numItems,b.UNSIGNED_SHORT,0)};p.Ribbon=function(b,h,a){let c=b[0].lineSegments.length,e=b[0].lineSegments[0].length;this.partitions=[];this.partitions.lastRender=0;this.front=
0<h;for(let g=0,d=b.length;g<d;g++){if(!v||65E3<v.positionData.length){0<this.partitions.length&&g--;var v={count:0,positionData:[],normalData:[]};this.partitions.push(v)}var l=b[g];v.count++;for(var x=0;x<c;x++){var u=a?l.lineSegmentsCartoon[x]:l.lineSegments[x],w=0===x,p=!1;for(var y=0;y<e;y++){var f=u[y],q=g,A=y+1;g===b.length-1&&y===e-1?A--:y===e-1&&(q++,A=0);A=a?b[q].lineSegmentsCartoon[x][A]:b[q].lineSegments[x][A];q=!1;var C=x+1;x===c-1&&(C-=2,q=!0);C=a?l.lineSegmentsCartoon[C][y]:l.lineSegments[C][y];
A=[A.x-f.x,A.y-f.y,A.z-f.z];C=[C.x-f.x,C.y-f.y,C.z-f.z];let d=r.cross(A,C,[]);0===y&&(r.normalize(A),r.scale(A,-1),v.normalData.push(A[0],A[1],A[2]),v.positionData.push(f.x,f.y,f.z));w||p?(r.normalize(C),r.scale(C,-1),v.normalData.push(C[0],C[1],C[2]),v.positionData.push(f.x,f.y,f.z),w&&y===e-1&&(w=!1,y=-1)):(r.normalize(d),(q&&!this.front||!q&&this.front)&&r.scale(d,-1),v.normalData.push(d[0],d[1],d[2]),r.scale(d,n.abs(h)),v.positionData.push(f.x+d[0],f.y+d[1],f.z+d[2]),x===c-1&&y===e-1&&(p=!0,y=
-1));if(-1===y||y===e-1)r.normalize(A),v.normalData.push(A[0],A[1],A[2]),v.positionData.push(f.x,f.y,f.z)}}}c+=2;e+=2;this.segments=[];this.partitionSegments=[];for(let g=0,m=this.partitions.length;g<m;g++){h=this.partitions[g];v=[];l=d;for(let m=0,n=h.count-1;m<n;m++){l=m;for(x=0;x<g;x++)l+=this.partitions[x].count-1;l=b[l];u=m*c*e;x=[];for(let a=0,b=c-1;a<b;a++)for(w=u+a*e,p=0;p<e-1;p++)y=1,m===n&&(y=0),y=[w+p,w+e+p,w+e+p+y,w+p,w+p+y,w+e+p+y],p!==e-1&&(this.front?x.push(y[0],y[1],y[2],y[3],y[5],
y[4]):x.push(y[0],y[2],y[1],y[3],y[4],y[5])),p!==e-2||m===h.count-2&&g===this.partitions.length-1||(f=c*e-p,y[2]+=f,y[4]+=f,y[5]+=f),this.front?v.push(y[0],y[1],y[2],y[3],y[5],y[4]):v.push(y[0],y[2],y[1],y[3],y[4],y[5]);a&&l.split&&(v=new k(this,d,v,g),v.helix=l.helix,v.sheet=l.sheet,this.partitionSegments.push(v),v=[]);this.segments.push(new k(this,l.name,x,g))}h=new k(this,d,v,g);h.helix=l.helix;h.sheet=l.sheet;this.partitionSegments.push(h)}this.storeData(this.partitions[0].positionData,this.partitions[0].normalData);
1===this.partitions.length&&(this.partitions=d)};(p.Ribbon.prototype=new p._Mesh).render=function(b,h){this.bindBuffers(b);let a=h.macro_colorByChain?this.chainColor:d;a||(a=this.front?h.proteins_primaryColor:h.proteins_secondaryColor);b.material.setDiffuseColor(b,a);for(let a=0,c=this.partitionSegments.length;a<c;a++)this.partitionSegments[a].render(b,h,!h.proteins_ribbonCartoonize)}})(ChemDoodle.RESIDUE,ChemDoodle.structures.d3,Math,ChemDoodle.lib.vec3);
(function(e,p,n,r,d){p.Light=function(d,b,c){this.camera=new p.Camera;this.lightScene(d,b,c)};d=p.Light.prototype;d.lightScene=function(d,b,c){this.diffuseRGB=e.getRGB(d,1);this.specularRGB=e.getRGB(b,1);this.direction=c;this.updateView()};d.updateView=function(){var d=n.normalize(this.direction,[]);let b=n.scale(d,(this.camera.near-this.camera.far)/2-this.camera.near,[]);d=n.equal(d,[0,1,0])?[0,0,1]:[0,1,0];r.lookAt(b,[0,0,0],d,this.camera.viewMatrix);this.camera.orthogonalProjectionMatrix()}})(ChemDoodle.math,
ChemDoodle.structures.d3,ChemDoodle.lib.vec3,ChemDoodle.lib.mat4);(function(e,p){e.Line=function(){this.storeData([0,0,0,0,1,0],[0,0,0,0,0,0])};e.Line.prototype=new e._Mesh})(ChemDoodle.structures.d3);
(function(e,p,n){p.Material=function(){};p=p.Material.prototype;p.setTempColors=function(n,d,k,b,c){d&&n.shader.setMaterialAmbientColor(n,e.getRGB(d,1));k&&n.shader.setMaterialDiffuseColor(n,e.getRGB(k,1));b&&n.shader.setMaterialSpecularColor(n,e.getRGB(b,1));n.shader.setMaterialShininess(n,c);n.shader.setMaterialAlpha(n,1)};p.setDiffuseColor=function(n,d){n.shader.setMaterialDiffuseColor(n,e.getRGB(d,1))};p.setAlpha=function(e,d){e.shader.setMaterialAlpha(e,d)}})(ChemDoodle.math,ChemDoodle.structures.d3);
(function(e,p,n,r){e.Picker=function(){};e=e.Picker.prototype;e.init=function(d){this.framebuffer=d.createFramebuffer();let e=d.createTexture(),b=d.createRenderbuffer();d.bindTexture(d.TEXTURE_2D,e);d.texParameteri(d.TEXTURE_2D,d.TEXTURE_MAG_FILTER,d.NEAREST);d.texParameteri(d.TEXTURE_2D,d.TEXTURE_MIN_FILTER,d.NEAREST);d.texParameteri(d.TEXTURE_2D,d.TEXTURE_WRAP_S,d.CLAMP_TO_EDGE);d.texParameteri(d.TEXTURE_2D,d.TEXTURE_WRAP_T,d.CLAMP_TO_EDGE);d.bindRenderbuffer(d.RENDERBUFFER,b);d.bindFramebuffer(d.FRAMEBUFFER,
this.framebuffer);d.framebufferTexture2D(d.FRAMEBUFFER,d.COLOR_ATTACHMENT0,d.TEXTURE_2D,e,0);d.framebufferRenderbuffer(d.FRAMEBUFFER,d.DEPTH_ATTACHMENT,d.RENDERBUFFER,b);d.bindTexture(d.TEXTURE_2D,null);d.bindRenderbuffer(d.RENDERBUFFER,null);d.bindFramebuffer(d.FRAMEBUFFER,null)};e.setDimension=function(d,e,b){d.bindFramebuffer(d.FRAMEBUFFER,this.framebuffer);var c=d.getFramebufferAttachmentParameter(d.FRAMEBUFFER,d.DEPTH_ATTACHMENT,d.FRAMEBUFFER_ATTACHMENT_OBJECT_NAME);d.isRenderbuffer(c)&&(d.bindRenderbuffer(d.RENDERBUFFER,
c),d.renderbufferStorage(d.RENDERBUFFER,d.DEPTH_COMPONENT16,e,b),d.bindRenderbuffer(d.RENDERBUFFER,null));c=d.getFramebufferAttachmentParameter(d.FRAMEBUFFER,d.COLOR_ATTACHMENT0,d.FRAMEBUFFER_ATTACHMENT_OBJECT_NAME);d.isTexture(c)&&(d.bindTexture(d.TEXTURE_2D,c),d.texImage2D(d.TEXTURE_2D,0,d.RGBA,e,b,0,d.RGBA,d.UNSIGNED_BYTE,null),d.bindTexture(d.TEXTURE_2D,null));d.bindFramebuffer(d.FRAMEBUFFER,null)}})(ChemDoodle.structures.d3,ChemDoodle.math,document);
(function(e,p,n){e.Pill=function(e,d,k,b){var c=1,h=2*e;d-=h;0>d?(c=0,d+=h):d<h&&(c=d/h,d=h);h=[];let a=[];for(var g=0;g<=k;g++){var m=g*p.PI/k,v=p.sin(m);m=p.cos(m)*c;for(let c=0;c<=b;c++){var l=2*c*p.PI/b,n=p.sin(l);l=p.cos(l)*v;let u=m;n*=v;a.push(l,u,n);h.push(e*l,e*u+(g<k/2?d:0),e*n)}}e=[];b+=1;for(d=0;d<k;d++)for(c=0;c<b;c++)g=d*b+c%b,v=g+b,e.push(g,g+1,v),c<b-1&&e.push(v,g+1,v+1);this.storeData(h,a,e)};e.Pill.prototype=new e._Mesh})(ChemDoodle.structures.d3,Math);
(function(e,p,n,r,d,k,b,c,h){function a(a,b,c){let g=new n.Residue(-1);g.cp1=g.cp2=new n.Atom("",a,b,c);return g}function g(a,b){this.a1=a;this.a2=b}function m(a,b,c){this.a1=a;this.a2=b;this.vx=c}g.prototype.render=function(a,c){var g=this.a1;let h=this.a2;var m=1.001*g.distance3D(h);c=c.proteins_cylinderHelixDiameter/2;m=[c,m,c];c=k.translate(k.identity(),[g.x,g.y,g.z]);var l=[0,1,0];let v=0;g.x===h.x&&g.z===h.z?(l=[0,0,1],h.y<g.y&&(v=d.PI)):(g=[h.x-g.x,h.y-g.y,h.z-g.z],v=e.vec3AngleFrom(l,g),l=
b.cross(l,g,[]));0!==v&&k.rotate(c,v,l);k.scale(c,m);a.shader.setMatrixUniforms(a,c);a.drawArrays(a.TRIANGLE_STRIP,0,a.cylinderClosedBuffer.vertexPositionBuffer.numItems)};m.prototype.render=function(a,c){this.styles&&(c=this.styles);let g=1.001*this.a1.distance3D(this.a2);var d=[this.a2.x-this.a1.x,this.a2.y-this.a1.y,this.a2.z-this.a1.z];let h=b.cross(d,this.vx,[]),e=b.cross(h,d,[]);b.normalize(e);b.normalize(d);b.normalize(h);d=[e[0],e[1],e[2],0,d[0],d[1],d[2],0,h[0],h[1],h[2],0,this.a1.x,this.a1.y,
this.a1.z,1];k.scale(d,[c.proteins_plankSheetWidth,g,c.proteins_tubeThickness]);a.shader.setMatrixUniforms(a,d);a.drawArrays(a.TRIANGLE_STRIP,0,a.boxBuffer.vertexPositionBuffer.numItems)};r.PipePlank=function(c,h){this.tubes=[];this.helixCylinders=[];this.sheetPlanks=[];this.chainColor=c.chainColor;var e=[],k=[],l=[],v=[];if(1<c.length){var p=c[0],f=c[1];f.helix?l.push(p):f.sheet?v.push(p):k.push(p)}for(let h=1,u=c.length-1;h<=u;h++)if(p=c[h],p.helix){if(l.push(p),p.arrow){var q=b.create();f=b.create();
if(1===l.length)q=[p.guidePointsSmall[0].x,p.guidePointsSmall[0].y,p.guidePointsSmall[0].z],f=p.guidePointsSmall[p.guidePointsSmall.length-1],f=[f.x,f.y,f.z];else if(2===l.length)q=[l[0].cp1.x,l[0].cp1.y,l[0].cp1.z],f=[l[1].cp1.x,l[1].cp1.y,l[1].cp1.z];else{3===l.length&&l.unshift(c[d.max(h-3,0)]);var A=[],C=[];for(let a=1,c=l.length-1;a<c;a++){var B=[l[a].cp1.x,l[a].cp1.y,l[a].cp1.z],D=[l[a-1].cp1.x,l[a-1].cp1.y,l[a-1].cp1.z],F=[l[a+1].cp1.x,l[a+1].cp1.y,l[a+1].cp1.z];b.subtract(D,B);b.subtract(F,
B);var L=b.scale(D,b.length(F),[]);D=b.scale(F,b.length(D),[]);L=b.normalize(b.add(L,D,[]));A.push(B);C.push(L)}l=[];for(let a=0,c=A.length-1;a<c;a++){D=A[a];F=C[a];B=A[a+1];L=C[a+1];var H=b.normalize(b.cross(F,L,[])),K=b.subtract(B,D,[]);let c=b.dot(K,H);H=b.scale(H,c,[]);H=b.length(H);K=b.length(K);K=-(H*H-K*K)/(2*b.dot(b.subtract(D,B,[]),L));D=b.add(D,b.scale(F,K,[]),[]);B=b.add(B,b.scale(L,K,[]),[]);l.push([D,B])}A=l[0][0];C=l[0][1];C=b.subtract(A,C,[]);b.add(A,C,q);A=l[l.length-1][1];C=l[l.length-
1][0];C=b.subtract(A,C,[]);b.add(A,C,f)}l=new n.Atom("",q[0],q[1],q[2]);A=new n.Atom("",f[0],f[1],f[2]);this.helixCylinders.push(new g(l,A));l=[];A=b.subtract(q,f,[]);b.normalize(A);b.scale(A,.5);0<k.length&&(C=b.add(q,A,[]),B=k[k.length-1].cp1,B=b.subtract([B.x,B.y,B.z],C,[]),b.normalize(B),b.scale(B,.5),b.add(C,B),B=new n.Residue(-1),B.cp1=B.cp2=new n.Atom("",C[0],C[1],C[2]),k.push(B),B=a(q[0],q[1],q[2]),k.push(B),e.push(k));k=[];h<u&&(q=a(f[0],f[1],f[2]),k.push(q),q=c[h+1],q.sheet?(k.push(p),k.push(p),
e.push(k),k=[],v.push(p)):(b.scale(A,-1),p=b.add(f,A,[]),f=q.cp1,f=b.subtract([f.x,f.y,f.z],p,[]),b.normalize(f),b.scale(f,.5),b.add(p,f),p=a(p[0],p[1],p[2]),k.push(p)))}}else if(p.sheet){if(v.push(p),p.arrow){q=[0,0,0];A=[0,0,0];f=v.length;for(C=0;C<f;C++)L=v[C].guidePointsLarge,B=L[0],L=L[L.length-1],b.add(q,[B.x,B.y,B.z]),b.add(A,[L.x,L.y,L.z]);b.scale(q,1/f);b.scale(A,1/f);q=b.subtract(q,A);f=v[f-1].guidePointsSmall[0];this.sheetPlanks.push(new m(v[0].guidePointsSmall[0],f,q));v=[];h<u&&(c[h+
1].sheet?v.push(p):(p=a(f.x,f.y,f.z),k.push(p)))}}else k.push(p),h<u&&c[h+1].sheet&&(f=p.guidePointsSmall[0],f=a(f.x,f.y,f.z),k.push(f),e.push(k),k=[],v.push(p));1<k.length&&(2==k.length&&k.push(k[k.length-1]),e.push(k));k=[];for(let a=0,b=e.length;a<b;a++){v=e[a];p=[];for(let a=0,b=v.length-1;a<=b;a++)p.push(v[a].cp1);k.push(p)}for(let a=0,b=k.length;a<b;a++)e=new r.CatmullTube(k[a],h.proteins_tubeThickness,h.proteins_tubeResolution_3D,h.proteins_horizontalResolution),e.chainColor=c.chainColor,this.tubes.push(e)};
(r.PipePlank.prototype=new r._Mesh).render=function(a,b){a.material.setTempColors(a,b.proteins_materialAmbientColor_3D,h,b.proteins_materialSpecularColor_3D,b.proteins_materialShininess_3D);a.material.setDiffuseColor(a,b.macro_colorByChain?this.chainColor:b.proteins_tubeColor);for(let c=0,g=this.tubes.length;c<g;c++)a.shader.setMatrixUniforms(a),this.tubes[c].render(a,b);b.macro_colorByChain||a.material.setDiffuseColor(a,b.proteins_ribbonCartoonHelixSecondaryColor);a.cylinderClosedBuffer.bindBuffers(a);
for(let c=0,g=this.helixCylinders.length;c<g;c++)this.helixCylinders[c].render(a,b);b.macro_colorByChain||a.material.setDiffuseColor(a,b.proteins_ribbonCartoonSheetColor);a.boxBuffer.bindBuffers(a);for(let c=0,g=this.sheetPlanks.length;c<g;c++)this.sheetPlanks[c].render(a,b)}})(ChemDoodle.extensions,ChemDoodle.RESIDUE,ChemDoodle.structures,ChemDoodle.structures.d3,Math,ChemDoodle.lib.mat4,ChemDoodle.lib.vec3,ChemDoodle.math);
(function(e,p){e.Quad=function(){this.storeData([-1,1,0,-1,-1,0,1,1,0,1,-1,0],[0,0,0,0,0,0,0,0,0,0,0,0])};e.Quad.prototype=new e._Mesh})(ChemDoodle.structures.d3);
(function(e,p,n,r){p.Shape=function(d,k){var b=d.length;let c=[],h=[],a=new e.Point;for(let e=0,l=b;e<l;e++){var g=e+1;e===l-1&&(g=0);let b=d[e];var m=d[g];g=n.cross([0,0,1],[m.x-b.x,m.y-b.y,0]);for(let a=0;2>a;a++)c.push(b.x,b.y,k/2),c.push(b.x,b.y,-k/2),c.push(m.x,m.y,k/2),c.push(m.x,m.y,-k/2);for(m=0;4>m;m++)h.push(g[0],g[1],g[2]);h.push(0,0,1);h.push(0,0,-1);h.push(0,0,1);h.push(0,0,-1);a.add(b)}a.x/=b;a.y/=b;h.push(0,0,1);c.push(a.x,a.y,k/2);h.push(0,0,-1);c.push(a.x,a.y,-k/2);d=[];k=8*b;for(let a=
0,c=b;a<c;a++)b=8*a,d.push(b),d.push(b+3),d.push(b+1),d.push(b),d.push(b+2),d.push(b+3),d.push(b+4),d.push(k),d.push(b+6),d.push(b+5),d.push(b+7),d.push(k+1);this.storeData(c,h,d)};p.Shape.prototype=new p._Mesh})(ChemDoodle.structures,ChemDoodle.structures.d3,ChemDoodle.lib.vec3);
(function(e,p,n,r){e.Star=function(){let d=[.8944,.4472,0,.2764,.4472,.8506,.2764,.4472,-.8506,-.7236,.4472,.5257,-.7236,.4472,-.5257,-.3416,.4472,0,-.1056,.4472,.3249,-.1056,.4472,-.3249,.2764,.4472,.2008,.2764,.4472,-.2008,-.8944,-.4472,0,-.2764,-.4472,.8506,-.2764,-.4472,-.8506,.7236,-.4472,.5257,.7236,-.4472,-.5257,.3416,-.4472,0,.1056,-.4472,.3249,.1056,-.4472,-.3249,-.2764,-.4472,.2008,-.2764,-.4472,-.2008,-.5527,.1058,0,-.1708,.1058,.5527,-.1708,.1058,-.5527,.4471,.1058,.3249,.4471,.1058,-.3249,
.5527,-.1058,0,.1708,-.1058,.5527,.1708,-.1058,-.5527,-.4471,-.1058,.3249,-.4471,-.1058,-.3249,0,1,0,0,-1,0],e=[0,9,8,2,7,9,4,5,7,3,6,5,1,8,6,0,8,23,30,6,8,3,21,6,11,26,21,13,23,26,2,9,24,30,8,9,1,23,8,13,25,23,14,24,25,4,7,22,30,9,7,0,24,9,14,27,24,12,22,27,3,5,20,30,7,5,2,22,7,12,29,22,10,20,29,1,6,21,30,5,6,4,20,5,10,28,20,11,21,28,10,19,18,12,17,19,14,15,17,13,16,15,11,18,16,31,19,17,14,17,27,2,27,22,4,22,29,10,29,19,31,18,19,12,19,29,4,29,20,3,20,28,11,28,18,31,16,18,10,18,28,3,28,21,1,21,26,
13,26,16,31,15,16,11,16,26,1,26,23,0,23,25,14,25,15,31,17,15,13,15,25,0,25,24,2,24,27,12,27,17],b=[],c=[],h=[];for(let k=0,l=e.length;k<l;k+=3){var a=3*e[k],g=3*e[k+1],m=3*e[k+2];a=[d[a],d[a+1],d[a+2]];g=[d[g],d[g+1],d[g+2]];m=[d[m],d[m+1],d[m+2]];let l=n.cross([m[0]-g[0],m[1]-g[1],m[2]-g[2]],[a[0]-g[0],a[1]-g[1],a[2]-g[2]],[]);n.normalize(l);b.push(a[0],a[1],a[2],g[0],g[1],g[2],m[0],m[1],m[2]);c.push(l[0],l[1],l[2],l[0],l[1],l[2],l[0],l[1],l[2]);h.push(k,k+1,k+2)}this.storeData(b,c,h)};e.Star.prototype=
new e._Mesh})(ChemDoodle.structures.d3,Math,ChemDoodle.lib.vec3);
(function(e,p,n,r,d){let k=1;r.devicePixelRatio&&(k=r.devicePixelRatio);e.TextImage=function(){this.ctx=n.createElement("canvas").getContext("2d");this.data=[];this.text="";this.charHeight=0};e=e.TextImage.prototype;e.init=function(b){this.textureImage=b.createTexture();b.bindTexture(b.TEXTURE_2D,this.textureImage);b.pixelStorei(b.UNPACK_FLIP_Y_WEBGL,!1);b.texParameteri(b.TEXTURE_2D,b.TEXTURE_WRAP_S,b.CLAMP_TO_EDGE);b.texParameteri(b.TEXTURE_2D,b.TEXTURE_WRAP_T,b.CLAMP_TO_EDGE);b.texParameteri(b.TEXTURE_2D,
b.TEXTURE_MIN_FILTER,b.NEAREST);b.texParameteri(b.TEXTURE_2D,b.TEXTURE_MAG_FILTER,b.NEAREST);b.bindTexture(b.TEXTURE_2D,null);this.updateFont(b,12,["Sans-serif"],!1,!1,!1)};e.charData=function(b){b=this.text.indexOf(b);return 0<=b?this.data[b]:null};e.updateFont=function(b,c,d,a,g,e){let h=this.ctx,m=this.ctx.canvas,n=[],u="";c*=k;d=p.getFontString(c,d,a,g);h.font=d;h.save();a=0;c*=1.5;for(let b=32,f=127;b<f;b++){g=String.fromCharCode(b);var w=h.measureText(g).width;n.push({text:g,width:w,height:c});
a+=2*w}g=["\u00b0","\u212b","\u00ae"];for(let b=0,f=g.length;b<f;b++){w=g[b];var r=h.measureText(w).width;n.push({text:w,width:r,height:c});a+=2*r}g=Math.ceil(Math.sqrt(a*c)/c);a=Math.ceil(a/(g-1));m.width=a;m.height=g*c;h.font=d;h.textAlign="left";h.textBaseline="middle";h.strokeStyle="#000";h.lineWidth=1.4;h.fillStyle="#fff";g=d=0;for(let b=0,c=n.length;b<c;b++){w=n[b];r=2*w.width;let c=w.height,f=w.text;g+r>a&&(d++,g=0);let m=d*c;e&&h.strokeText(f,g,m+c/2);h.fillText(f,g,m+c/2);w.x=g;w.y=m;u+=
f;g+=r}this.text=u;this.data=n;this.charHeight=c;b.bindTexture(b.TEXTURE_2D,this.textureImage);b.texImage2D(b.TEXTURE_2D,0,b.RGBA,b.RGBA,b.UNSIGNED_BYTE,m);b.bindTexture(b.TEXTURE_2D,null)};e.pushVertexData=function(b,c,d,a){let g=b.toString().split(""),e=this.getHeight(),h=this.getWidth();b=-this.textWidth(b)/2/k;let l=-this.charHeight/2/k;for(let m=0,v=g.length;m<v;m++){var n=this.charData(g[m]);let v=n.width,u=n.x/h,f=u+1.8*n.width/h,q=n.y/e;n=q+n.height/e;let w=b+1.8*v/k,r=this.charHeight/2/k;
a.position.push(c[0],c[1],c[2],c[0],c[1],c[2],c[0],c[1],c[2],c[0],c[1],c[2],c[0],c[1],c[2],c[0],c[1],c[2]);a.texCoord.push(u,q,f,n,f,q,u,q,u,n,f,n);a.translation.push(b,r,d,w,l,d,w,r,d,b,r,d,b,l,d,w,l,d);b=w+(v-1.8*v)/k}};e.getCanvas=function(){return this.ctx.canvas};e.getHeight=function(){return this.getCanvas().height};e.getWidth=function(){return this.getCanvas().width};e.textWidth=function(b){return this.ctx.measureText(b).width};e.test=function(){n.body.appendChild(this.getCanvas())};e.useTexture=
function(b){b.bindTexture(b.TEXTURE_2D,this.textureImage)}})(ChemDoodle.structures.d3,ChemDoodle.extensions,document,window);
(function(e,p,n){e.TextMesh=function(){};e=e.TextMesh.prototype;e.init=function(e){this.vertexPositionBuffer=e.createBuffer();this.vertexTexCoordBuffer=e.createBuffer();this.vertexTranslationBuffer=e.createBuffer()};e.setVertexData=function(e,d,k,b){e.bindBuffer(e.ARRAY_BUFFER,d);e.bufferData(e.ARRAY_BUFFER,new Float32Array(k),e.STATIC_DRAW);d.itemSize=b;d.numItems=k.length/b};e.storeData=function(e,d,k,b){this.setVertexData(e,this.vertexPositionBuffer,d,3);this.setVertexData(e,this.vertexTexCoordBuffer,
k,2);this.setVertexData(e,this.vertexTranslationBuffer,b,3)};e.bindBuffers=function(e){e.bindBuffer(e.ARRAY_BUFFER,this.vertexPositionBuffer);e.vertexAttribPointer(e.shader.vertexPositionAttribute,this.vertexPositionBuffer.itemSize,e.FLOAT,!1,0,0);e.bindBuffer(e.ARRAY_BUFFER,this.vertexTexCoordBuffer);e.vertexAttribPointer(e.shader.vertexTexCoordAttribute,this.vertexTexCoordBuffer.itemSize,e.FLOAT,!1,0,0);e.bindBuffer(e.ARRAY_BUFFER,this.vertexTranslationBuffer);e.vertexAttribPointer(e.shader.vertexNormalAttribute,
this.vertexTranslationBuffer.itemSize,e.FLOAT,!1,0,0)};e.render=function(e){let d=this.vertexPositionBuffer.numItems;d&&(this.bindBuffers(e),e.drawArrays(e.TRIANGLES,0,d))}})(ChemDoodle.structures.d3,Math);
(function(e,p,n,r,d,k,b){n.Torsion=function(b,d,a,g){this.a1=b;this.a2=d;this.a3=a;this.a4=g};e=n.Torsion.prototype=new n._Measurement;e.calculateData=function(c){let d=[],a=[],g=[];var e=this.a2.distance3D(this.a1),v=this.a2.distance3D(this.a3);this.distUse=r.min(e,v)/2;v=[this.a2.x-this.a1.x,this.a2.y-this.a1.y,this.a2.z-this.a1.z];e=[this.a3.x-this.a2.x,this.a3.y-this.a2.y,this.a3.z-this.a2.z];var l=[this.a4.x-this.a3.x,this.a4.y-this.a3.y,this.a4.z-this.a3.z],n=k.cross(v,e,[]);l=k.cross(e,l,[]);
k.scale(v,k.length(e));this.torsion=r.atan2(k.dot(v,l),k.dot(n,l));n=k.normalize(k.cross(n,e,[]));v=k.normalize(k.cross(e,n,[]));this.pos=k.add([this.a2.x,this.a2.y,this.a2.z],k.scale(k.normalize(e,[]),this.distUse));l=[];let u=c.measurement_angleBands_3D;var w=b;for(c=0;c<=u;++c){var p=this.torsion*c/u;w=k.scale(n,r.cos(p),[]);p=k.scale(v,r.sin(p),[]);w=k.scale(k.normalize(k.add(w,p,[])),this.distUse);0==c&&(l=w);d.push(this.pos[0]+w[0],this.pos[1]+w[1],this.pos[2]+w[2]);a.push(0,0,0);c<u&&g.push(c,
c+1)}this.vecText=k.normalize(k.add(l,w,[]));e=k.normalize(e,[]);k.scale(e,.0625);l=this.torsion-2*r.asin(.125)*this.torsion/r.abs(this.torsion);n=k.scale(n,r.cos(l),[]);v=k.scale(v,r.sin(l),[]);w=k.scale(k.normalize(k.add(n,v,[])),this.distUse);d.push(this.pos[0]+e[0]+w[0],this.pos[1]+e[1]+w[1],this.pos[2]+e[2]+w[2]);a.push(0,0,0);d.push(this.pos[0]-e[0]+w[0],this.pos[1]-e[1]+w[1],this.pos[2]-e[2]+w[2]);a.push(0,0,0);g.push(--c,c+1,c,c+2);this.storeData(d,a,g)};e.getText=function(b){k.add(this.pos,
k.scale(this.vecText,this.distUse+.3,[]));return{pos:this.pos,value:[p.angleBounds(this.torsion,!0,!0).toFixed(2)," \u00b0"].join("")}}})(ChemDoodle.ELEMENT,ChemDoodle.math,ChemDoodle.structures.d3,Math,ChemDoodle.lib.mat4,ChemDoodle.lib.vec3);
(function(e,p,n,r,d,k,b,c,h){let a=function(a,b){a.bindBuffer(a.ARRAY_BUFFER,b.vertexPositionBuffer);a.vertexAttribPointer(a.shader.vertexPositionAttribute,b.vertexPositionBuffer.itemSize,a.FLOAT,!1,0,0);a.bindBuffer(a.ARRAY_BUFFER,b.vertexNormalBuffer);a.vertexAttribPointer(a.shader.vertexNormalAttribute,b.vertexNormalBuffer.itemSize,a.FLOAT,!1,0,0);a.bindBuffer(a.ELEMENT_ARRAY_BUFFER,b.vertexIndexBuffer)},g=function(a,b,c){let g=d.sqrt(b[1]*b[1]+b[2]*b[2]),e=[1,0,0,0,0,b[2]/g,-b[1]/g,0,0,b[1]/g,
b[2]/g,0,0,0,0,1],h=[1,0,0,0,0,b[2]/g,b[1]/g,0,0,-b[1]/g,b[2]/g,0,0,0,0,1],m=[g,0,-b[0],0,0,1,0,0,b[0],0,g,0,0,0,0,1];b=[g,0,b[0],0,0,1,0,0,-b[0],0,g,0,0,0,0,1];c=[d.cos(c),-d.sin(c),0,0,d.sin(c),d.cos(c),0,0,0,0,1,0,0,0,0,1];let l=k.multiply(e,k.multiply(m,k.multiply(c,k.multiply(b,h,[]))));this.rotate=function(){return k.multiplyVec3(l,a)}};r.Tube=function(h,v,l){var m=h[0].lineSegments[0].length;this.partitions=[];this.ends=[];this.ends.push(h[0].lineSegments[0][0]);this.ends.push(h[h.length-1].lineSegments[0][0]);
var u=[1,0,0];for(let a=0,c=h.length;a<c;a++){if(!w||65E3<w.positionData.length){0<this.partitions.length&&a--;var w={count:0,positionData:[],normalData:[],indexData:[]};this.partitions.push(w)}var r=h[a];w.count++;var y=Infinity,f=new n.Atom("",h[a].cp1.x,h[a].cp1.y,h[a].cp1.z);for(let c=0;c<m;c++){let e=r.lineSegments[0][c];var q=c===m-1?a===h.length-1?r.lineSegments[0][c-1]:h[a+1].lineSegments[0][0]:r.lineSegments[0][c+1];q=[q.x-e.x,q.y-e.y,q.z-e.z];b.normalize(q);a===h.length-1&&c===m-1&&b.scale(q,
-1);var A=b.cross(q,u,[]);b.normalize(A);b.scale(A,v/2);q=new g(A,q,2*Math.PI/l);for(let a=0,b=l;a<b;a++)A=q.rotate(),a===d.floor(l/4)&&(u=[A[0],A[1],A[2]]),w.normalData.push(A[0],A[1],A[2]),w.positionData.push(e.x+A[0],e.y+A[1],e.z+A[2]);f&&(q=e.distance3D(f),q<y&&(y=q,h[a].pPoint=e))}}for(let a=0,b=this.partitions.length;a<b;a++){w=this.partitions[a];for(let a=0,b=w.count-1;a<b;a++){u=a*m*l;for(let a=0,b=m;a<b;a++)for(r=u+a*l,y=0;y<l;y++)f=r+y,w.indexData.push(f),w.indexData.push(f+l),w.indexData.push(f+
l+1),w.indexData.push(f),w.indexData.push(f+l+1),w.indexData.push(f+1)}}this.storeData(this.partitions[0].positionData,this.partitions[0].normalData,this.partitions[0].indexData);l=[new n.Point(2,0)];for(m=0;60>m;m++)w=m/60*d.PI,l.push(new n.Point(2*d.cos(w),-2*d.sin(w)));l.push(new n.Point(-2,0),new n.Point(-2,4),new n.Point(2,4));let C=new n.d3.Shape(l,1);this.render=function(f,g){this.bindBuffers(f);f.material.setDiffuseColor(f,g.macro_colorByChain?this.chainColor:g.nucleics_tubeColor);f.drawElements(f.TRIANGLES,
this.vertexIndexBuffer.numItems,f.UNSIGNED_SHORT,0);if(this.partitions)for(let b=1,c=this.partitions.length;b<c;b++){var m=this.partitions[b];a(f,m);f.drawElements(f.TRIANGLES,m.vertexIndexBuffer.numItems,f.UNSIGNED_SHORT,0)}f.sphereBuffer.bindBuffers(f);for(m=0;2>m;m++){var l=this.ends[m];l=k.translate(k.identity(),[l.x,l.y,l.z]);var u=v/2;k.scale(l,[u,u,u]);f.shader.setMatrixUniforms(f,l);f.drawElements(f.TRIANGLES,f.sphereBuffer.vertexIndexBuffer.numItems,f.UNSIGNED_SHORT,0)}f.cylinderBuffer.bindBuffers(f);
for(let a=0,c=h.length-1;a<c;a++){l=h[a];m=l.pPoint;l=new n.Atom("",l.cp2.x,l.cp2.y,l.cp2.z);u=1.001*m.distance3D(l);u=[v/4,u,v/4];var q=k.translate(k.identity(),[m.x,m.y,m.z]),w=[0,1,0],r=0,x=[l.x-m.x,l.y-m.y,l.z-m.z];m.x===l.x&&m.z===l.z?(l=[0,0,1],m.y<m.y&&(r=d.PI)):(r=e.vec3AngleFrom(w,x),l=b.cross(w,x,[]));0!==r&&k.rotate(q,r,l);k.scale(q,u);f.shader.setMatrixUniforms(f,q);f.drawArrays(f.TRIANGLE_STRIP,0,f.cylinderBuffer.vertexPositionBuffer.numItems)}C.bindBuffers(f);"none"!==g.nucleics_residueColor||
g.macro_colorByChain||f.material.setDiffuseColor(f,g.nucleics_baseColor);for(let a=0,v=h.length-1;a<v;a++)if(m=h[a],q=m.cp2,l=k.translate(k.identity(),[q.x,q.y,q.z]),w=[0,1,0],r=0,x=m.cp3){u=[x.x-q.x,x.y-q.y,x.z-q.z];q.x===x.x&&q.z===x.z?(w=[0,0,1],q.y<q.y&&(r=d.PI)):(r=e.vec3AngleFrom(w,u),w=b.cross(w,u,[]));0!==r&&k.rotate(l,r,w);q=[1,0,0];r=k.rotate(k.identity([]),r,w);k.multiplyVec3(r,q);r=m.cp4;w=m.cp5;if(r.y!==w.y||r.z!==w.z)r=[w.x-r.x,w.y-r.y,w.z-r.z],w=e.vec3AngleFrom(q,r),0>b.dot(u,b.cross(q,
r))&&(w*=-1),k.rotateY(l,w);g.macro_colorByChain||("shapely"===g.nucleics_residueColor?p[m.name]?f.material.setDiffuseColor(f,p[m.name].shapelyColor):f.material.setDiffuseColor(f,p["*"].shapelyColor):"rainbow"===g.nucleics_residueColor&&f.material.setDiffuseColor(f,c.rainbowAt(a,v,g.macro_rainbowColors)));f.shader.setMatrixUniforms(f,l);f.drawElements(f.TRIANGLES,C.vertexIndexBuffer.numItems,f.UNSIGNED_SHORT,0)}}};r.Tube.prototype=new r._Mesh;r.CatmullTube=function(a,c,e,h){var m=[];a.push(a[a.length-
1]);for(let b=0,c=a.length-2;b<=c;b++){var k=a[0==b?0:b-1],l=a[b+0],v=a[b+1],f=a[b==c?b+1:b+2],q=[];for(let a=0;a<h;a++){var r=a/h;b==c&&(r=a/(h-1));r=new n.Atom("C",.5*(2*l.x+(v.x-k.x)*r+(2*k.x-5*l.x+4*v.x-f.x)*r*r+(3*l.x-k.x-3*v.x+f.x)*r*r*r),.5*(2*l.y+(v.y-k.y)*r+(2*k.y-5*l.y+4*v.y-f.y)*r*r+(3*l.y-k.y-3*v.y+f.y)*r*r*r),.5*(2*l.z+(v.z-k.z)*r+(2*k.z-5*l.z+4*v.z-f.z)*r*r+(3*l.z-k.z-3*v.z+f.z)*r*r*r));q.push(r)}m.push(q)}a=m[0].length;this.partitions=[];this.ends=[];this.ends.push(m[0][0]);this.ends.push(m[m.length-
1][0]);h=[1,0,0];for(let n=0,u=m.length;n<u;n++){if(!p||65E3<p.positionData.length){0<this.partitions.length&&n--;var p={count:0,positionData:[],normalData:[],indexData:[]};this.partitions.push(p)}k=m[n];p.count++;for(l=0;l<a;l++){v=k[l];f=l===a-1?n===m.length-1?k[l-1]:m[n+1][0]:k[l+1];f=[f.x-v.x,f.y-v.y,f.z-v.z];b.normalize(f);n===m.length-1&&l===a-1&&b.scale(f,-1);q=b.cross(f,h,[]);b.normalize(q);b.scale(q,c/2);f=new g(q,f,2*Math.PI/e);for(let a=0,b=e;a<b;a++)q=f.rotate(),a===d.floor(e/4)&&(h=[q[0],
q[1],q[2]]),p.normalData.push(q[0],q[1],q[2]),p.positionData.push(v.x+q[0],v.y+q[1],v.z+q[2])}}for(let b=0,f=this.partitions.length;b<f;b++){c=this.partitions[b];for(let b=0,f=c.count-1;b<f;b++){m=b*a*e;for(let b=0,f=a;b<f;b++)for(p=m+b*e,h=0;h<=e;h++)k=p+h%e,c.indexData.push(k,k+e)}}this.storeData(this.partitions[0].positionData,this.partitions[0].normalData,this.partitions[0].indexData)};(r.CatmullTube.prototype=new r._Mesh).render=function(b,c){this.bindBuffers(b);for(let c=0,d=this.partitions.length;c<
d;c++){var g=this.partitions[c];a(b,g);b.drawElements(b.TRIANGLE_STRIP,g.vertexIndexBuffer.numItems,b.UNSIGNED_SHORT,0)}b.sphereBuffer.bindBuffers(b);for(g=0;2>g;g++){var d=this.ends[g];d=k.translate(k.identity(),[d.x,d.y,d.z]);let a=c.proteins_tubeThickness/2;k.scale(d,[a,a,a]);b.shader.setMatrixUniforms(b,d);b.drawElements(b.TRIANGLES,b.sphereBuffer.vertexIndexBuffer.numItems,b.UNSIGNED_SHORT,0)}}})(ChemDoodle.extensions,ChemDoodle.RESIDUE,ChemDoodle.structures,ChemDoodle.structures.d3,Math,ChemDoodle.lib.mat4,
ChemDoodle.lib.vec3,ChemDoodle.math);
(function(e,p,n,r,d){e.UnitCell=function(d,b,c){this.lengths=d;this.angles=b;this.offset=c;d=p.CIFInterpreter.generateABC2XYZ(d[0],d[1],d[2],b[0],b[1],b[2]);c||(this.offset=[0,0,0]);this.unitCellVectors={o:n.multiplyVec3(d,this.offset,[]),x:n.multiplyVec3(d,[this.offset[0]+1,this.offset[1],this.offset[2]]),y:n.multiplyVec3(d,[this.offset[0],this.offset[1]+1,this.offset[2]]),z:n.multiplyVec3(d,[this.offset[0],this.offset[1],this.offset[2]+1]),xy:n.multiplyVec3(d,[this.offset[0]+1,this.offset[1]+1,
this.offset[2]]),xz:n.multiplyVec3(d,[this.offset[0]+1,this.offset[1],this.offset[2]+1]),yz:n.multiplyVec3(d,[this.offset[0],this.offset[1]+1,this.offset[2]+1]),xyz:n.multiplyVec3(d,[this.offset[0]+1,this.offset[1]+1,this.offset[2]+1])};let e=[],a=[];c=function(b,c,d,h){e.push(b[0],b[1],b[2]);e.push(c[0],c[1],c[2]);e.push(d[0],d[1],d[2]);e.push(h[0],h[1],h[2]);for(b=0;4>b;b++)a.push(0,0,0)};c(this.unitCellVectors.o,this.unitCellVectors.x,this.unitCellVectors.xy,this.unitCellVectors.y);c(this.unitCellVectors.o,
this.unitCellVectors.y,this.unitCellVectors.yz,this.unitCellVectors.z);c(this.unitCellVectors.o,this.unitCellVectors.z,this.unitCellVectors.xz,this.unitCellVectors.x);c(this.unitCellVectors.yz,this.unitCellVectors.y,this.unitCellVectors.xy,this.unitCellVectors.xyz);c(this.unitCellVectors.xyz,this.unitCellVectors.xz,this.unitCellVectors.z,this.unitCellVectors.yz);c(this.unitCellVectors.xy,this.unitCellVectors.x,this.unitCellVectors.xz,this.unitCellVectors.xyz);c=[];for(d=0;6>d;d++)b=4*d,c.push(b,b+
1,b+1,b+2,b+2,b+3,b+3,b);this.storeData(e,a,c)};(e.UnitCell.prototype=new e._Mesh).render=function(d,b){d.shader.setMatrixUniforms(d);this.bindBuffers(d);d.material.setDiffuseColor(d,b.shapes_color);d.lineWidth(b.shapes_lineWidth);d.drawElements(d.LINES,this.vertexIndexBuffer.numItems,d.UNSIGNED_SHORT,0)}})(ChemDoodle.structures.d3,ChemDoodle.io,ChemDoodle.lib.mat4,ChemDoodle.lib.vec3);
(function(e,p,n,r){e.Framebuffer=function(){};e=e.Framebuffer.prototype;e.init=function(d){this.framebuffer=d.createFramebuffer()};e.setColorTexture=function(d,e,b){b=b===r?0:b;d.bindFramebuffer(d.FRAMEBUFFER,this.framebuffer);d.bindTexture(d.TEXTURE_2D,e);d.framebufferTexture2D(d.FRAMEBUFFER,d.COLOR_ATTACHMENT0+b,d.TEXTURE_2D,e,0);d.bindTexture(d.TEXTURE_2D,null);d.bindFramebuffer(d.FRAMEBUFFER,null)};e.setColorRenderbuffer=function(d,e,b){b=b===r?0:b;d.bindFramebuffer(d.FRAMEBUFFER,this.framebuffer);
d.bindRenderbuffer(d.RENDERBUFFER,e);d.framebufferRenderbuffer(d.FRAMEBUFFER,d.COLOR_ATTACHMENT0+b,d.RENDERBUFFER,e);d.bindRenderbuffer(d.RENDERBUFFER,null);d.bindFramebuffer(d.FRAMEBUFFER,null)};e.setDepthTexture=function(d,e){d.bindFramebuffer(d.FRAMEBUFFER,this.framebuffer);d.bindTexture(d.TEXTURE_2D,e);d.framebufferTexture2D(d.FRAMEBUFFER,d.DEPTH_ATTACHMENT,d.TEXTURE_2D,e,0);d.bindTexture(d.TEXTURE_2D,null);d.bindFramebuffer(d.FRAMEBUFFER,null)};e.setDepthRenderbuffer=function(d,e){d.bindFramebuffer(d.FRAMEBUFFER,
this.framebuffer);d.bindRenderbuffer(d.RENDERBUFFER,e);d.framebufferRenderbuffer(d.FRAMEBUFFER,d.DEPTH_ATTACHMENT,d.RENDERBUFFER,e);d.bindRenderbuffer(d.RENDERBUFFER,null);d.bindFramebuffer(d.FRAMEBUFFER,null)};e.bind=function(d,e,b){d.bindFramebuffer(d.FRAMEBUFFER,this.framebuffer);d.viewport(0,0,e,b)}})(ChemDoodle.structures.d3,ChemDoodle.math,document);
(function(e,p,n,r){e.Renderbuffer=function(){};e=e.Renderbuffer.prototype;e.init=function(d,e){this.renderbuffer=d.createRenderbuffer();this.format=e};e.setParameter=function(d,e,b){this.width=e;this.height=b;d.bindRenderbuffer(d.RENDERBUFFER,this.renderbuffer);d.renderbufferStorage(d.RENDERBUFFER,this.format,this.width,this.height);d.bindRenderbuffer(d.RENDERBUFFER,null)}})(ChemDoodle.structures.d3,ChemDoodle.math,document);
(function(e,p,n,r){p.SSAO=function(){};e=p.SSAO.prototype;e.initSampleKernel=function(d){let e=[];for(let c=0;c<d;c++){let h=2*n.random()-1,a=2*n.random()-1,g=2*n.random()-1;var b=c/d;b=.1+b*b*.9;h*=b;a*=b;g*=b;e.push(h,a,g)}this.sampleKernel=new Float32Array(e)};e.initNoiseTexture=function(d){let e=[];for(let b=0;16>b;b++)e.push(2*n.random()-1),e.push(2*n.random()-1),e.push(0);this.noiseTexture=d.createTexture();d.bindTexture(d.TEXTURE_2D,this.noiseTexture);d.texImage2D(d.TEXTURE_2D,0,d.RGB,4,4,
0,d.RGB,d.FLOAT,new Float32Array(e));d.texParameteri(d.TEXTURE_2D,d.TEXTURE_MIN_FILTER,d.NEAREST);d.texParameteri(d.TEXTURE_2D,d.TEXTURE_MAG_FILTER,d.NEAREST);d.texParameteri(d.TEXTURE_2D,d.TEXTURE_WRAP_S,d.REPEAT);d.texParameteri(d.TEXTURE_2D,d.TEXTURE_WRAP_T,d.REPEAT);d.bindTexture(d.TEXTURE_2D,null)}})(ChemDoodle.math,ChemDoodle.structures.d3,Math);
(function(e,p,n,r){e.Texture=function(){};e=e.Texture.prototype;e.init=function(d,e,b,c){this.texture=d.createTexture();this.type=e;this.internalFormat=b;this.format=c!==r?c:b;d.bindTexture(d.TEXTURE_2D,this.texture);d.texParameteri(d.TEXTURE_2D,d.TEXTURE_MAG_FILTER,d.NEAREST);d.texParameteri(d.TEXTURE_2D,d.TEXTURE_MIN_FILTER,d.NEAREST);d.texParameteri(d.TEXTURE_2D,d.TEXTURE_WRAP_S,d.CLAMP_TO_EDGE);d.texParameteri(d.TEXTURE_2D,d.TEXTURE_WRAP_T,d.CLAMP_TO_EDGE);d.bindTexture(d.TEXTURE_2D,null)};e.setParameter=
function(d,e,b){this.width=e;this.height=b;d.bindTexture(d.TEXTURE_2D,this.texture);d.texImage2D(d.TEXTURE_2D,0,this.internalFormat,this.width,this.height,0,this.format,this.type,null);d.bindTexture(d.TEXTURE_2D,null)}})(ChemDoodle.structures.d3,ChemDoodle.math,document);
(function(e,p,n,r,d){e._Shader=function(){};e=e._Shader.prototype;e.useShaderProgram=function(d){d.useProgram(this.gProgram);d.shader=this};e.init=function(d){let b=this.getShader(d,"vertex-shader");b||(b=this.loadDefaultVertexShader(d));let c=this.getShader(d,"fragment-shader");c||(c=this.loadDefaultFragmentShader(d));this.gProgram=d.createProgram();d.attachShader(this.gProgram,b);d.attachShader(this.gProgram,c);this.onShaderAttached(d);d.linkProgram(this.gProgram);d.getProgramParameter(this.gProgram,
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ChemDoodle.lib.mat4,document);
(function(e,p,n,r,d){e.FXAAShader=function(){};let k=e._Shader.prototype;e=e.FXAAShader.prototype=new e._Shader;e.initUniformLocations=function(b){k.initUniformLocations.call(this,b);this.buffersizeUniform=b.getUniformLocation(this.gProgram,"u_buffersize");this.antialiasUniform=b.getUniformLocation(this.gProgram,"u_antialias");this.edgeThresholdUniform=b.getUniformLocation(this.gProgram,"u_edge_threshold");this.edgeThresholdMinUniform=b.getUniformLocation(this.gProgram,"u_edge_threshold_min");this.searchStepsUniform=
b.getUniformLocation(this.gProgram,"u_search_steps");this.searchThresholdUniform=b.getUniformLocation(this.gProgram,"u_search_threshold");this.subpixCapUniform=b.getUniformLocation(this.gProgram,"u_subpix_cap");this.subpixTrimUniform=b.getUniformLocation(this.gProgram,"u_subpix_trim")};e.setBuffersize=function(b,c,d){b.uniform2f(this.buffersizeUniform,c,d)};e.setAntialias=function(b,c){b.uniform1f(this.antialiasUniform,c)};e.setEdgeThreshold=function(b,c){b.uniform1f(this.edgeThresholdUniform,c)};
e.setEdgeThresholdMin=function(b,c){b.uniform1f(this.edgeThresholdMinUniform,c)};e.setSearchSteps=function(b,c){b.uniform1i(this.searchStepsUniform,c)};e.setSearchThreshold=function(b,c){b.uniform1f(this.searchThresholdUniform,c)};e.setSubpixCap=function(b,c){b.uniform1f(this.subpixCapUniform,c)};e.setSubpixTrim=function(b,c){b.uniform1f(this.subpixTrimUniform,c)};e.loadDefaultVertexShader=function(b){return this.getShaderFromStr(b,b.VERTEX_SHADER,"precision mediump float;attribute vec3 a_vertex_position;varying vec2 v_texcoord;void main() {gl_Position \x3d vec4(a_vertex_position, 1.);v_texcoord \x3d a_vertex_position.xy * .5 + .5;}")};
e.loadDefaultFragmentShader=function(b){return this.getShaderFromStr(b,b.FRAGMENT_SHADER,"precision mediump float;\nconst int fxaaMaxSearchSteps \x3d 128;\nuniform float u_edge_threshold;\nuniform float u_edge_threshold_min;\nuniform int u_search_steps;\nuniform float u_search_threshold;\nuniform float u_subpix_cap;\nuniform float u_subpix_trim;\nuniform sampler2D u_sampler0;\nuniform vec2 u_buffersize;\nuniform bool u_antialias;\nvarying vec2 v_texcoord;\nfloat FxaaLuma(vec3 rgb) {\nreturn rgb.y * (0.587/0.299) + rgb.x;\n}\nvec3 FxaaLerp3(vec3 a, vec3 b, float amountOfA) {\nreturn (vec3(-amountOfA) * b) + ((a * vec3(amountOfA)) + b);\n}\nvec4 FxaaTexOff(sampler2D tex, vec2 pos, vec2 off, vec2 rcpFrame) {\nreturn texture2D(tex, pos + off * rcpFrame);\n}\nvec3 FxaaPixelShader(vec2 pos, sampler2D tex, vec2 rcpFrame) {\nfloat subpix_trim_scale \x3d (1.0/(1.0 - u_subpix_trim));\nvec3 rgbN \x3d FxaaTexOff(tex, pos.xy, vec2( 0.,-1.), rcpFrame).xyz;\nvec3 rgbW \x3d FxaaTexOff(tex, pos.xy, vec2(-1., 0.), rcpFrame).xyz;\nvec3 rgbM \x3d FxaaTexOff(tex, pos.xy, vec2( 0., 0.), rcpFrame).xyz;\nvec3 rgbE \x3d FxaaTexOff(tex, pos.xy, vec2( 1., 0.), rcpFrame).xyz;\nvec3 rgbS \x3d FxaaTexOff(tex, pos.xy, vec2( 0., 1.), rcpFrame).xyz;\nfloat lumaN \x3d FxaaLuma(rgbN);\nfloat lumaW \x3d FxaaLuma(rgbW);\nfloat lumaM \x3d FxaaLuma(rgbM);\nfloat lumaE \x3d FxaaLuma(rgbE);\nfloat lumaS \x3d FxaaLuma(rgbS);\nfloat rangeMin \x3d min(lumaM, min(min(lumaN, lumaW), min(lumaS, lumaE)));\nfloat rangeMax \x3d max(lumaM, max(max(lumaN, lumaW), max(lumaS, lumaE)));\nfloat range \x3d rangeMax - rangeMin;\nif(range \x3c max(u_edge_threshold_min, rangeMax * u_edge_threshold)) {\nreturn rgbM;\n}\nvec3 rgbL \x3d rgbN + rgbW + rgbM + rgbE + rgbS;\nfloat lumaL \x3d (lumaN + lumaW + lumaE + lumaS) * 0.25;\nfloat rangeL \x3d abs(lumaL - lumaM);\nfloat blendL \x3d max(0.0, (rangeL / range) - u_subpix_trim) * subpix_trim_scale;\nblendL \x3d min(u_subpix_cap, blendL);\nvec3 rgbNW \x3d FxaaTexOff(tex, pos.xy, vec2(-1.,-1.), rcpFrame).xyz;\nvec3 rgbNE \x3d FxaaTexOff(tex, pos.xy, vec2( 1.,-1.), rcpFrame).xyz;\nvec3 rgbSW \x3d FxaaTexOff(tex, pos.xy, vec2(-1., 1.), rcpFrame).xyz;\nvec3 rgbSE \x3d FxaaTexOff(tex, pos.xy, vec2( 1., 1.), rcpFrame).xyz;\nrgbL +\x3d (rgbNW + rgbNE + rgbSW + rgbSE);\nrgbL *\x3d vec3(1.0/9.0);\nfloat lumaNW \x3d FxaaLuma(rgbNW);\nfloat lumaNE \x3d FxaaLuma(rgbNE);\nfloat lumaSW \x3d FxaaLuma(rgbSW);\nfloat lumaSE \x3d FxaaLuma(rgbSE);\nfloat edgeVert \x3d\nabs((0.25 * lumaNW) + (-0.5 * lumaN) + (0.25 * lumaNE)) +\nabs((0.50 * lumaW ) + (-1.0 * lumaM) + (0.50 * lumaE )) +\nabs((0.25 * lumaSW) + (-0.5 * lumaS) + (0.25 * lumaSE));\nfloat edgeHorz \x3d\nabs((0.25 * lumaNW) + (-0.5 * lumaW) + (0.25 * lumaSW)) +\nabs((0.50 * lumaN ) + (-1.0 * lumaM) + (0.50 * lumaS )) +\nabs((0.25 * lumaNE) + (-0.5 * lumaE) + (0.25 * lumaSE));\nbool horzSpan \x3d edgeHorz \x3e\x3d edgeVert;\nfloat lengthSign \x3d horzSpan ? -rcpFrame.y : -rcpFrame.x;\nif(!horzSpan) {\nlumaN \x3d lumaW;\nlumaS \x3d lumaE;\n}\nfloat gradientN \x3d abs(lumaN - lumaM);\nfloat gradientS \x3d abs(lumaS - lumaM);\nlumaN \x3d (lumaN + lumaM) * 0.5;\nlumaS \x3d (lumaS + lumaM) * 0.5;\nif (gradientN \x3c gradientS) {\nlumaN \x3d lumaS;\nlumaN \x3d lumaS;\ngradientN \x3d gradientS;\nlengthSign *\x3d -1.0;\n}\nvec2 posN;\nposN.x \x3d pos.x + (horzSpan ? 0.0 : lengthSign * 0.5);\nposN.y \x3d pos.y + (horzSpan ? lengthSign * 0.5 : 0.0);\ngradientN *\x3d u_search_threshold;\nvec2 posP \x3d posN;\nvec2 offNP \x3d horzSpan ? vec2(rcpFrame.x, 0.0) : vec2(0.0, rcpFrame.y);\nfloat lumaEndN \x3d lumaN;\nfloat lumaEndP \x3d lumaN;\nbool doneN \x3d false;\nbool doneP \x3d false;\nposN +\x3d offNP * vec2(-1.0, -1.0);\nposP +\x3d offNP * vec2( 1.0,  1.0);\nfor(int i \x3d 0; i \x3c fxaaMaxSearchSteps; i++) {\nif(i \x3e\x3d u_search_steps) break;\nif(!doneN) {\nlumaEndN \x3d FxaaLuma(texture2D(tex, posN.xy).xyz);\n}\nif(!doneP) {\nlumaEndP \x3d FxaaLuma(texture2D(tex, posP.xy).xyz);\n}\ndoneN \x3d doneN || (abs(lumaEndN - lumaN) \x3e\x3d gradientN);\ndoneP \x3d doneP || (abs(lumaEndP - lumaN) \x3e\x3d gradientN);\nif(doneN \x26\x26 doneP) {\nbreak;\n}\nif(!doneN) {\nposN -\x3d offNP;\n}\nif(!doneP) {\nposP +\x3d offNP;\n}\n}\nfloat dstN \x3d horzSpan ? 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ChemDoodle.lib.mat3,ChemDoodle.lib.mat4,document);
(function(e,p,n,r,d){e.LabelShader=function(){};let k=e._Shader.prototype;e=e.LabelShader.prototype=new e._Shader;e.initUniformLocations=function(b){k.initUniformLocations.call(this,b);this.dimensionUniform=b.getUniformLocation(this.gProgram,"u_dimension")};e.onShaderAttached=function(b){k.onShaderAttached.call(this,b);this.vertexTexCoordAttribute=2;b.bindAttribLocation(this.gProgram,this.vertexTexCoordAttribute,"a_vertex_texcoord")};e.loadDefaultVertexShader=function(b){return this.getShaderFromStr(b,
b.VERTEX_SHADER,"precision mediump float;attribute vec3 a_vertex_position;attribute vec3 a_vertex_normal;attribute vec2 a_vertex_texcoord;uniform mat4 u_model_view_matrix;uniform mat4 u_projection_matrix;uniform vec2 u_dimension;varying vec2 v_texcoord;void main() {gl_Position \x3d u_model_view_matrix * vec4(a_vertex_position, 1.);vec4 depth_pos \x3d vec4(gl_Position);depth_pos.z +\x3d a_vertex_normal.z;gl_Position \x3d u_projection_matrix * gl_Position;depth_pos \x3d u_projection_matrix * depth_pos;gl_Position /\x3d gl_Position.w;gl_Position.xy +\x3d a_vertex_normal.xy / u_dimension * 2.;gl_Position.z \x3d depth_pos.z / depth_pos.w;v_texcoord \x3d a_vertex_texcoord;}")};
e.loadDefaultFragmentShader=function(b){let c=[b.depthTextureExt?"#define CWC_DEPTH_TEX\n":"","precision mediump float;uniform sampler2D u_image;varying vec2 v_texcoord;void main(void) {gl_FragColor \x3d texture2D(u_image, v_texcoord);}"].join("");return this.getShaderFromStr(b,b.FRAGMENT_SHADER,c)};e.enableAttribsArray=function(b){k.enableAttribsArray.call(this,b);b.enableVertexAttribArray(this.vertexNormalAttribute);b.enableVertexAttribArray(this.vertexTexCoordAttribute)};e.disableAttribsArray=
function(b){k.disableAttribsArray.call(this,b);b.disableVertexAttribArray(this.vertexNormalAttribute);b.disableVertexAttribArray(this.vertexTexCoordAttribute)};e.setDimension=function(b,c,d){b.uniform2f(this.dimensionUniform,c,d)}})(ChemDoodle.structures.d3,ChemDoodle.lib.mat3,ChemDoodle.lib.mat4,document);
(function(e,p,n,r,d){e.LightingShader=function(){};let k=e._Shader.prototype;e=e.LightingShader.prototype=new e._Shader;e.initUniformLocations=function(b){k.initUniformLocations.call(this,b);this.positionSampleUniform=b.getUniformLocation(this.gProgram,"u_position_sample");this.colorSampleUniform=b.getUniformLocation(this.gProgram,"u_color_sample");this.ssaoSampleUniform=b.getUniformLocation(this.gProgram,"u_ssao_sample");this.outlineSampleUniform=b.getUniformLocation(this.gProgram,"u_outline_sample")};
e.loadDefaultVertexShader=function(b){return this.getShaderFromStr(b,b.VERTEX_SHADER,"precision mediump float;attribute vec3 a_vertex_position;varying vec2 v_texcoord;void main() {gl_Position \x3d vec4(a_vertex_position, 1.);v_texcoord \x3d a_vertex_position.xy * .5 + .5;}")};e.loadDefaultFragmentShader=function(b){return this.getShaderFromStr(b,b.FRAGMENT_SHADER,"precision mediump float;uniform sampler2D u_position_sample;uniform sampler2D u_color_sample;uniform sampler2D u_ssao_sample;uniform sampler2D u_outline_sample;varying vec2 v_texcoord;void main() {vec4 position \x3d texture2D(u_position_sample, v_texcoord);vec4 color \x3d texture2D(u_color_sample, v_texcoord);vec4 ao \x3d texture2D(u_ssao_sample, v_texcoord);float outline \x3d texture2D(u_outline_sample, v_texcoord).r;if(position.w \x3d\x3d 0. \x26\x26 outline \x3d\x3d 1.) {return;}gl_FragColor \x3d vec4(color.rgb * ao.r * outline, 1.);}")}})(ChemDoodle.structures.d3,
ChemDoodle.lib.mat3,ChemDoodle.lib.mat4,document);
(function(e,p,n,r,d){e.NormalShader=function(){};let k=e._Shader.prototype;e=e.NormalShader.prototype=new e._Shader;e.initUniformLocations=function(b){k.initUniformLocations.call(this,b);this.normalMatrixUniform=b.getUniformLocation(this.gProgram,"u_normal_matrix")};e.loadDefaultVertexShader=function(b){return this.getShaderFromStr(b,b.VERTEX_SHADER,"precision mediump float;attribute vec3 a_vertex_position;attribute vec3 a_vertex_normal;uniform mat4 u_model_view_matrix;uniform mat4 u_projection_matrix;uniform mat3 u_normal_matrix;varying vec3 v_normal;void main() {v_normal \x3d length(a_vertex_normal)\x3d\x3d0. ? a_vertex_normal : u_normal_matrix * a_vertex_normal;gl_Position \x3d u_projection_matrix * u_model_view_matrix * vec4(a_vertex_position, 1.);}")};e.loadDefaultFragmentShader=
function(b){return this.getShaderFromStr(b,b.FRAGMENT_SHADER,"precision mediump float;varying vec3 v_normal;void main(void) {vec3 normal \x3d length(v_normal)\x3d\x3d0. ? vec3(0., 0., 1.) : normalize(v_normal);gl_FragColor \x3d vec4(normal, 0.);}")};e.enableAttribsArray=function(b){k.enableAttribsArray.call(this,b);b.enableVertexAttribArray(this.vertexNormalAttribute)};e.disableAttribsArray=function(b){k.disableAttribsArray.call(this,b);b.disableVertexAttribArray(this.vertexNormalAttribute)};e.setModelViewMatrix=
function(b,c){k.setModelViewMatrix.call(this,b,c);c=p.transpose(n.toInverseMat3(c,[]));b.uniformMatrix3fv(this.normalMatrixUniform,!1,c)}})(ChemDoodle.structures.d3,ChemDoodle.lib.mat3,ChemDoodle.lib.mat4,document);
(function(e,p,n,r,d){e.OutlineShader=function(){};let k=e._Shader.prototype;e=e.OutlineShader.prototype=new e._Shader;e.initUniformLocations=function(b){k.initUniformLocations.call(this,b);this.normalSampleUniform=b.getUniformLocation(this.gProgram,"u_normal_sample");this.depthSampleUniform=b.getUniformLocation(this.gProgram,"u_depth_sample");this.gbufferTextureSizeUniform=b.getUniformLocation(this.gProgram,"u_gbuffer_texture_size");this.normalThresholdUniform=b.getUniformLocation(this.gProgram,"u_normal_threshold");
this.depthThresholdUniform=b.getUniformLocation(this.gProgram,"u_depth_threshold");this.thicknessUniform=b.getUniformLocation(this.gProgram,"u_thickness")};e.loadDefaultVertexShader=function(b){return this.getShaderFromStr(b,b.VERTEX_SHADER,"precision mediump float;attribute vec3 a_vertex_position;varying vec2 v_texcoord;void main() {gl_Position \x3d vec4(a_vertex_position, 1.);v_texcoord \x3d a_vertex_position.xy * .5 + .5;}")};e.loadDefaultFragmentShader=function(b){return this.getShaderFromStr(b,
b.FRAGMENT_SHADER,"precision mediump float;uniform sampler2D u_normal_sample;uniform sampler2D u_depth_sample;uniform float u_normal_threshold;uniform float u_depth_threshold;uniform float u_thickness;uniform vec2 u_gbuffer_texture_size;varying vec2 v_texcoord;void main() {vec3 normal \x3d texture2D(u_normal_sample, v_texcoord).xyz;float depth \x3d texture2D(u_depth_sample, v_texcoord).r;vec2 texelSize \x3d u_thickness/u_gbuffer_texture_size * .5;vec2 offsets[8];offsets[0] \x3d vec2(-texelSize.x, -texelSize.y);offsets[1] \x3d vec2(-texelSize.x, 0);offsets[2] \x3d vec2(-texelSize.x, texelSize.y);offsets[3] \x3d vec2(0, -texelSize.y);offsets[4] \x3d vec2(0,  texelSize.y);offsets[5] \x3d vec2(texelSize.x, -texelSize.y);offsets[6] \x3d vec2(texelSize.x, 0);offsets[7] \x3d vec2(texelSize.x, texelSize.y);float edge \x3d 0.;for (int i \x3d 0; i \x3c 8; i++) {vec3 sampleNorm \x3d texture2D(u_normal_sample, v_texcoord + offsets[i]).xyz;if(normal \x3d\x3d vec3(.0, .0, .0)) {if(sampleNorm !\x3d vec3(.0, .0, .0)) {edge \x3d 1.0;break;}continue;}if (dot(sampleNorm, normal) \x3c u_normal_threshold) {edge \x3d 1.0;break;}float sampleDepth \x3d texture2D(u_depth_sample, v_texcoord + offsets[i]).r;if (abs(sampleDepth - depth) \x3e u_depth_threshold) {edge \x3d 1.0;break;}}edge \x3d 1. - edge;gl_FragColor \x3d vec4(edge, edge, edge, 1.);}")};
e.setGbufferTextureSize=function(b,c,d){b.uniform2f(this.gbufferTextureSizeUniform,c,d)};e.setNormalThreshold=function(b,c){b.uniform1f(this.normalThresholdUniform,c)};e.setDepthThreshold=function(b,c){b.uniform1f(this.depthThresholdUniform,c)};e.setThickness=function(b,c){b.uniform1f(this.thicknessUniform,c)}})(ChemDoodle.structures.d3,ChemDoodle.lib.mat3,ChemDoodle.lib.mat4,document);
(function(e,p,n,r,d){e.PhongShader=function(){};let k=e._Shader.prototype;e=e.PhongShader.prototype=new e._Shader;e.initUniformLocations=function(b){k.initUniformLocations.call(this,b);this.shadowUniform=b.getUniformLocation(this.gProgram,"u_shadow");this.flatColorUniform=b.getUniformLocation(this.gProgram,"u_flat_color");this.normalMatrixUniform=b.getUniformLocation(this.gProgram,"u_normal_matrix");this.lightModelViewMatrixUniform=b.getUniformLocation(this.gProgram,"u_light_model_view_matrix");this.lightProjectionMatrixUniform=
b.getUniformLocation(this.gProgram,"u_light_projection_matrix");this.lightDiffuseColorUniform=b.getUniformLocation(this.gProgram,"u_light_diffuse_color");this.lightSpecularColorUniform=b.getUniformLocation(this.gProgram,"u_light_specular_color");this.lightDirectionUniform=b.getUniformLocation(this.gProgram,"u_light_direction");this.materialAmbientColorUniform=b.getUniformLocation(this.gProgram,"u_material_ambient_color");this.materialDiffuseColorUniform=b.getUniformLocation(this.gProgram,"u_material_diffuse_color");
this.materialSpecularColorUniform=b.getUniformLocation(this.gProgram,"u_material_specular_color");this.materialShininessUniform=b.getUniformLocation(this.gProgram,"u_material_shininess");this.materialAlphaUniform=b.getUniformLocation(this.gProgram,"u_material_alpha");this.fogModeUniform=b.getUniformLocation(this.gProgram,"u_fog_mode");this.fogColorUniform=b.getUniformLocation(this.gProgram,"u_fog_color");this.fogStartUniform=b.getUniformLocation(this.gProgram,"u_fog_start");this.fogEndUniform=b.getUniformLocation(this.gProgram,
"u_fog_end");this.fogDensityUniform=b.getUniformLocation(this.gProgram,"u_fog_density");this.shadowDepthSampleUniform=b.getUniformLocation(this.gProgram,"u_shadow_depth_sample");this.shadowTextureSizeUniform=b.getUniformLocation(this.gProgram,"u_shadow_texture_size");this.shadowIntensityUniform=b.getUniformLocation(this.gProgram,"u_shadow_intensity");this.gammaCorrectionUniform=b.getUniformLocation(this.gProgram,"u_gamma_inverted");this.pointSizeUniform=b.getUniformLocation(this.gProgram,"u_point_size")};
e.loadDefaultVertexShader=function(b){return this.getShaderFromStr(b,b.VERTEX_SHADER,"precision mediump float;attribute vec3 a_vertex_position;attribute vec3 a_vertex_normal;uniform vec3 u_light_diffuse_color;uniform vec3 u_material_ambient_color;uniform vec3 u_material_diffuse_color;uniform mat4 u_model_view_matrix;uniform mat4 u_projection_matrix;uniform mat3 u_normal_matrix;uniform mat4 u_light_model_view_matrix;uniform mat4 u_light_projection_matrix;uniform bool u_shadow;varying vec3 v_viewpos;varying vec4 v_shadcoord;varying vec3 v_diffuse;varying vec3 v_ambient;varying vec3 v_normal;uniform float u_point_size;void main() {v_normal \x3d length(a_vertex_normal)\x3d\x3d0. ? a_vertex_normal : u_normal_matrix * a_vertex_normal;v_ambient \x3d u_material_ambient_color;v_diffuse \x3d u_material_diffuse_color * u_light_diffuse_color;if(u_shadow) {v_shadcoord \x3d u_light_projection_matrix * u_light_model_view_matrix * vec4(a_vertex_position, 1.);v_shadcoord /\x3d v_shadcoord.w;}vec4 viewPos \x3d u_model_view_matrix * vec4(a_vertex_position, 1.);v_viewpos \x3d viewPos.xyz / viewPos.w;gl_Position \x3d u_projection_matrix * viewPos;gl_Position /\x3d gl_Position.w;gl_PointSize \x3d u_point_size;}")};
e.loadDefaultFragmentShader=function(b){let c=[b.depthTextureExt?"#define CWC_DEPTH_TEX\n":"","precision mediump float;uniform vec3 u_light_specular_color;uniform vec3 u_light_direction;uniform vec3 u_material_specular_color;uniform float u_material_shininess;uniform float u_material_alpha;uniform int u_fog_mode;uniform vec3 u_fog_color;uniform float u_fog_density;uniform float u_fog_start;uniform float u_fog_end;uniform bool u_shadow;uniform float u_shadow_intensity;uniform bool u_flat_color;uniform float u_gamma_inverted;uniform sampler2D u_shadow_depth_sample;uniform vec2 u_shadow_texture_size;varying vec3 v_viewpos;varying vec4 v_shadcoord;varying vec3 v_diffuse;varying vec3 v_ambient;varying vec3 v_normal;\n#ifndef CWC_DEPTH_TEX\nfloat unpack (vec4 colour) {const vec4 bitShifts \x3d vec4(1.,1. / 255.,1. / (255. * 255.),1. / (255. * 255. * 255.));return dot(colour, bitShifts);}\n#endif\nfloat shadowMapDepth(vec4 shadowMapColor) {float zShadowMap;\n#ifdef CWC_DEPTH_TEX\nzShadowMap \x3d shadowMapColor.r;\n#else\nzShadowMap \x3d unpack(shadowMapColor);\n#endif\nreturn zShadowMap;}void main(void) {vec3 color \x3d v_diffuse;if(length(v_normal)!\x3d0.){vec3 normal \x3d normalize(v_normal);vec3 lightDir \x3d normalize(-u_light_direction);float nDotL \x3d dot(normal, lightDir);float shadow \x3d 0.0;if(u_shadow) {vec3 depthCoord \x3d .5 + v_shadcoord.xyz / v_shadcoord.w * .5;if(depthCoord.z \x3c\x3d 1. \x26\x26 depthCoord.z \x3e\x3d 0.) {float bias \x3d max(.05 * (1. - nDotL), .005);vec2 texelSize \x3d 1. / u_shadow_texture_size;for(int x \x3d -1; x \x3c\x3d 1; ++x) {for(int y \x3d -1; y \x3c\x3d 1; ++y)  {vec4 shadowMapColor \x3d texture2D(u_shadow_depth_sample, depthCoord.xy + vec2(x, y) * texelSize);float zShadowMap \x3d shadowMapDepth(shadowMapColor);shadow +\x3d zShadowMap + bias \x3c depthCoord.z ? 1. : 0.;}}shadow /\x3d 9.;shadow *\x3d u_shadow_intensity;}}if(!u_flat_color) {vec3 viewDir \x3d normalize(-v_viewpos);vec3 halfDir \x3d normalize(lightDir + viewDir);float nDotHV \x3d max(dot(halfDir, normal), 0.);vec3 specular \x3d u_material_specular_color * u_light_specular_color;color*\x3dmax(nDotL, 0.);color+\x3dspecular * pow(nDotHV, u_material_shininess);}color \x3d (1.-shadow)*color+v_ambient;}gl_FragColor \x3d vec4(pow(color, vec3(u_gamma_inverted)), u_material_alpha);if(u_fog_mode !\x3d 0){float fogCoord \x3d 1.-clamp((u_fog_end - gl_FragCoord.z/gl_FragCoord.w) / (u_fog_end - u_fog_start), 0., 1.);float fogFactor \x3d 1.;if(u_fog_mode \x3d\x3d 1){fogFactor \x3d 1.-fogCoord;}else if(u_fog_mode \x3d\x3d 2) {fogFactor \x3d clamp(exp(-u_fog_density*fogCoord), 0., 1.);}else if(u_fog_mode \x3d\x3d 3) {fogFactor \x3d clamp(exp(-pow(u_fog_density*fogCoord, 2.)), 0., 1.);}gl_FragColor \x3d mix(vec4(u_fog_color, 1.), gl_FragColor, fogFactor);}}"].join("");
return this.getShaderFromStr(b,b.FRAGMENT_SHADER,c)};e.enableAttribsArray=function(b){k.enableAttribsArray.call(this,b);b.enableVertexAttribArray(this.vertexNormalAttribute)};e.disableAttribsArray=function(b){k.disableAttribsArray.call(this,b);b.disableVertexAttribArray(this.vertexNormalAttribute)};e.setMatrixUniforms=function(b,c){if(c===d)this.setModelViewMatrix(b,b.modelViewMatrix),this.setLightModelViewMatrix(b,b.lightViewMatrix);else{let d=n.multiply(b.modelViewMatrix,c,[]);c=n.multiply(b.lightViewMatrix,
c,[]);this.setModelViewMatrix(b,d);this.setLightModelViewMatrix(b,c)}};e.setModelViewMatrix=function(b,c){k.setModelViewMatrix.call(this,b,c);c=p.transpose(n.toInverseMat3(c,[]));b.uniformMatrix3fv(this.normalMatrixUniform,!1,c)};e.setFlatColor=function(b,c){b.uniform1i(this.flatColorUniform,c)};e.setShadow=function(b,c){b.uniform1i(this.shadowUniform,c)};e.setFogMode=function(b,c){b.uniform1i(this.fogModeUniform,c)};e.setFogColor=function(b,c){b.uniform3fv(this.fogColorUniform,c)};e.setFogStart=
function(b,c){b.uniform1f(this.fogStartUniform,c)};e.setFogEnd=function(b,c){b.uniform1f(this.fogEndUniform,c)};e.setFogDensity=function(b,c){b.uniform1f(this.fogDensityUniform,c)};e.setMaterialAmbientColor=function(b,c){b.uniform3fv(this.materialAmbientColorUniform,c)};e.setMaterialDiffuseColor=function(b,c){b.uniform3fv(this.materialDiffuseColorUniform,c)};e.setMaterialSpecularColor=function(b,c){b.uniform3fv(this.materialSpecularColorUniform,c)};e.setMaterialShininess=function(b,c){b.uniform1f(this.materialShininessUniform,
c)};e.setMaterialAlpha=function(b,c){b.uniform1f(this.materialAlphaUniform,c)};e.setLightDiffuseColor=function(b,c){b.uniform3fv(this.lightDiffuseColorUniform,c)};e.setLightSpecularColor=function(b,c){b.uniform3fv(this.lightSpecularColorUniform,c)};e.setLightDirection=function(b,c){b.uniform3fv(this.lightDirectionUniform,c)};e.setLightModelViewMatrix=function(b,c){b.uniformMatrix4fv(this.lightModelViewMatrixUniform,!1,c)};e.setLightProjectionMatrix=function(b,c){b.uniformMatrix4fv(this.lightProjectionMatrixUniform,
!1,c)};e.setShadowTextureSize=function(b,c,d){b.uniform2f(this.shadowTextureSizeUniform,c,d)};e.setShadowIntensity=function(b,c){b.uniform1f(this.shadowIntensityUniform,c)};e.setGammaCorrection=function(b,c){b.uniform1f(this.gammaCorrectionUniform,1/c)};e.setPointSize=function(b,c){b.uniform1f(this.pointSizeUniform,c)}})(ChemDoodle.structures.d3,ChemDoodle.lib.mat3,ChemDoodle.lib.mat4,document);
(function(e,p,n,r,d){e.PickShader=function(){};let k=e._Shader.prototype;e=e.PickShader.prototype=new e._Shader;e.initUniformLocations=function(b){k.initUniformLocations.call(this,b);this.materialDiffuseColorUniform=b.getUniformLocation(this.gProgram,"u_material_diffuse_color")};e.loadDefaultVertexShader=function(b){return this.getShaderFromStr(b,b.VERTEX_SHADER,"precision mediump float;attribute vec3 a_vertex_position;uniform mat4 u_model_view_matrix;uniform mat4 u_projection_matrix;void main() {gl_Position \x3d u_projection_matrix * u_model_view_matrix * vec4(a_vertex_position, 1.);gl_Position /\x3d gl_Position.w;}")};
e.loadDefaultFragmentShader=function(b){let c=[b.depthTextureExt?"#define CWC_DEPTH_TEX\n":"","precision mediump float;uniform vec3 u_material_diffuse_color;void main(void) {gl_FragColor \x3d vec4(u_material_diffuse_color, 1.);}"].join("");return this.getShaderFromStr(b,b.FRAGMENT_SHADER,c)};e.setMaterialDiffuseColor=function(b,c){b.uniform3fv(this.materialDiffuseColorUniform,c)}})(ChemDoodle.structures.d3,ChemDoodle.lib.mat3,ChemDoodle.lib.mat4,document);
(function(e,p,n,r,d){e.PositionShader=function(){};e=e.PositionShader.prototype=new e._Shader;e.loadDefaultVertexShader=function(d){return this.getShaderFromStr(d,d.VERTEX_SHADER,"precision mediump float;attribute vec3 a_vertex_position;uniform mat4 u_model_view_matrix;uniform mat4 u_projection_matrix;varying vec4 v_position;void main() {vec4 viewPos \x3d u_model_view_matrix * vec4(a_vertex_position, 1.);gl_Position \x3d u_projection_matrix * viewPos;v_position \x3d viewPos / viewPos.w;}")};e.loadDefaultFragmentShader=
function(d){return this.getShaderFromStr(d,d.FRAGMENT_SHADER,"precision mediump float;varying vec4 v_position;void main(void) {gl_FragColor \x3d v_position;}")}})(ChemDoodle.structures.d3,ChemDoodle.lib.mat3,ChemDoodle.lib.mat4,document);
(function(e,p,n,r,d){e.QuadShader=function(){};e=e.QuadShader.prototype=new e._Shader;e.loadDefaultVertexShader=function(d){return this.getShaderFromStr(d,d.VERTEX_SHADER,"precision mediump float;attribute vec3 a_vertex_position;varying vec2 v_texcoord;void main() {gl_Position \x3d vec4(a_vertex_position, 1.);v_texcoord \x3d a_vertex_position.xy * .5 + .5;}")};e.loadDefaultFragmentShader=function(d){return this.getShaderFromStr(d,d.FRAGMENT_SHADER,"precision mediump float;uniform sampler2D u_image;varying vec2 v_texcoord;void main() {gl_FragColor \x3d texture2D(u_image, v_texcoord);}")}})(ChemDoodle.structures.d3,
ChemDoodle.lib.mat3,ChemDoodle.lib.mat4,document);
(function(e,p,n,r,d,k,b){function c(a,b,c,d,h,n){c=a[0]*n+c-n;d=a[1]*n+d-n;a=a[2]*n+h-n;h=-1;for(let g=0,e=b.length;g<e;g++)if(n=b[g],.001>k.abs(n.x-c)&&.001>k.abs(n.y-d)&&.001>k.abs(n.z-a)){h=g;break}-1==h&&(h=b.length,b.push(new e.Atom("C",c,d,a)));return h}let h=function(a,b,c){this.i1=a;this.i2=b;this.i3=c};p._Surface=function(){};p=p._Surface.prototype=new p._Mesh;p.generate=function(a,b,c,d,e,h,k,n){a=[];b=e[4]-d;for(c=0;c<n;c++){let c=e[2]-d;for(let g=0;g<k;g++){let f=e[0]-d;for(let g=0;g<
h;g++)a.push(this.calculate(f,c,b)),f+=d;c+=d}b+=d}return a};p.build=function(a,b,m){let g=[],l=[],n=[];var u=[Infinity,-Infinity,Infinity,-Infinity,Infinity,-Infinity];b+=2;for(let c=0,f=a.length;c<f;c++){var w=a[c];u[0]=k.min(u[0],w.x-b);u[1]=k.max(u[1],w.x+b);u[2]=k.min(u[2],w.y-b);u[3]=k.max(u[3],w.y+b);u[4]=k.min(u[4],w.z-b);u[5]=k.max(u[5],w.z+b)}a=u;b=a[1]-a[0];w=a[3]-a[2];var p=a[5]-a[4];u=k.min(b,k.min(w,p))/m;m=2+k.ceil(b/u);var y=2+k.ceil(w/u),f=2+k.ceil(p/u);b=this.generate(b,w,p,u,a,
m,y,f);b=r(b,[m,y,f]);m=[];w=[];for(let f=0,g=b.vertices.length;f<g;f++)w.push(c(b.vertices[f],m,a[0],a[2],a[4],u));a=[];for(let c=0,f=b.faces.length;c<f;c++)y=b.faces[c],u=w[y[0]],p=w[y[1]],y=w[y[2]],a.push(new h(u,p,y)),n.push(u,p,y);u=[];for(let c=0,f=m.length;c<f;c++){b=[];for(let f=0,g=a.length;f<g;f++)if(w=a[f],w.i1===c||w.i2===c||w.i3===c)w.i1!=c&&-1===b.indexOf(w.i1)&&b.push(w.i1),w.i2!=c&&-1===b.indexOf(w.i2)&&b.push(w.i2),w.i3!=c&&-1===b.indexOf(w.i3)&&b.push(w.i3);u.push(b)}b=[];for(let a=
0,c=m.length;a<c;a++){p=m[a];y=u[a];w=new e.Atom;if(3>y.length)w.x=p.x,w.y=p.y,w.z=p.z;else{f=1;5>y.length&&(f=.5);for(let a=0,b=y.length;a<b;a++){let b=m[y[a]];w.x+=b.x;w.y+=b.y;w.z+=b.z}w.x+=p.x*f;w.y+=p.y*f;w.z+=p.z*f;p=1/(f+y.length);w.x*=p;w.y*=p;w.z*=p}b.push(w)}m=b;for(let a=0,b=m.length;a<b;a++)u=m[a],g.push(u.x,u.y,u.z);for(let c=0,f=a.length;c<f;c++)u=a[c],b=m[u.i1],p=m[u.i2],w=m[u.i3],p=[p.x-b.x,p.y-b.y,p.z-b.z],d.cross(p,[w.x-b.x,w.y-b.y,w.z-b.z]),isNaN(p[0])&&(p=[0,0,0]),u.normal=p;for(let b=
0,c=m.length;b<c;b++){m=[0,0,0];for(let c=0,f=a.length;c<f;c++)if(u=a[c],u.i1===b||u.i2===b||u.i3===b)m[0]+=u.normal[0],m[1]+=u.normal[1],m[2]+=u.normal[2];d.normalize(m);l.push(m[0],m[1],m[2])}this.storeData(g,l,n)};p.render=function(a,b){this.styles&&(b=this.styles);b.surfaces_display&&(a.shader.setMatrixUniforms(a),this.bindBuffers(a),a.material.setTempColors(a,b.surfaces_materialAmbientColor_3D,b.surfaces_color,b.surfaces_materialSpecularColor_3D,b.surfaces_materialShininess_3D),a.material.setAlpha(a,
b.surfaces_alpha),"Dots"===b.surfaces_style?(a.shader.setPointSize(a,b.shapes_pointSize),a.drawElements(a.POINTS,this.vertexIndexBuffer.numItems,a.UNSIGNED_SHORT,0)):"Mesh"===b.surfaces_style?(a.lineWidth(b.shapes_lineWidth),a.drawElements(a.LINES,this.vertexIndexBuffer.numItems,a.UNSIGNED_SHORT,0)):a.drawElements(a.TRIANGLES,this.vertexIndexBuffer.numItems,a.UNSIGNED_SHORT,0))}})(ChemDoodle.structures,ChemDoodle.structures.d3,ChemDoodle.ELEMENT,ChemDoodle.lib.MarchingCubes,ChemDoodle.lib.vec3,Math);
(function(e,p,n,r,d){p.SASSurface=function(d,b,c){this.atoms=d;this.probeRadius=b;this.resolution=c;this.build(d,b,c)};(p.SASSurface.prototype=new p._Surface).calculate=function(d,b,c){let h=Infinity;d=new e.Atom("C",d,b,c);for(let a=0,g=this.atoms.length;a<g;a++)b=this.atoms[a],c=n[b.label]&&0!==n[b.label].vdWRadius?n[b.label].vdWRadius:2,b=b.distance3D(d)-this.probeRadius-c,h=r.min(h,b);return h}})(ChemDoodle.structures,ChemDoodle.structures.d3,ChemDoodle.ELEMENT,Math);
(function(e,p,n,r,d){p.VDWSurface=function(d,b){this.atoms=d;this.probeRadius=0;this.resolution=b;this.build(d,0,b)};(p.VDWSurface.prototype=new p._Surface).calculate=function(d,b,c){let h=Infinity;d=new e.Atom("C",d,b,c);for(let a=0,g=this.atoms.length;a<g;a++)b=this.atoms[a],c=n[b.label]&&0!==n[b.label].vdWRadius?n[b.label].vdWRadius:2,b=b.distance3D(d)-c,h=r.min(h,b);return h}})(ChemDoodle.structures,ChemDoodle.structures.d3,ChemDoodle.ELEMENT,Math);
(function(e,p,n,r){e.Plate=function(d){this.lanes=Array(d);i=0;for(ii=d;i<ii;i++)this.lanes[i]=[]};r=e.Plate.prototype;r.sort=function(){i=0;for(ii=this.lanes.length;i<ii;i++)this.lanes[i].sort(function(d,e){return d-e})};r.draw=function(d,e){e=d.canvas.width;var b=d.canvas.height;this.origin=9*b/10;this.front=b/10;this.laneLength=this.origin-this.front;d.strokeStyle="#000000";d.beginPath();d.moveTo(0,this.front);d.lineTo(e,this.front);d.setLineDash([3]);d.stroke();d.setLineDash([]);d.beginPath();
d.moveTo(0,this.origin);d.lineTo(e,this.origin);d.closePath();d.stroke();i=0;for(ii=this.lanes.length;i<ii;i++)for(b=(i+1)*e/(ii+1),d.beginPath(),d.moveTo(b,this.origin),d.lineTo(b,this.origin+3),d.closePath(),d.stroke(),s=0,ss=this.lanes[i].length;s<ss;s++){let c=this.origin-this.laneLength*this.lanes[i][s].rf;switch(this.lanes[i][s].type){case "compact":d.beginPath();d.arc(b,c,3,0,2*n.PI,!1);d.closePath();break;case "expanded":d.beginPath();d.arc(b,c,7,0,2*n.PI,!1);d.closePath();break;case "widened":p.contextEllipse(d,
b-18,c-10,36,10);break;case "cresent":d.beginPath(),d.arc(b,c,9,0,n.PI,!0),d.closePath()}switch(this.lanes[i][s].style){case "solid":d.fillStyle="#000000";d.fill();break;case "transparent":d.stroke()}}};e.Plate.Spot=function(d,e,b){this.type=d;this.rf=e;this.style=b?b:"solid"}})(ChemDoodle.structures,ChemDoodle.extensions,Math);
(function(e,p,n,r,d,k){e.DEFAULT_STYLES={backgroundColor:"#FFFFFF",scale:1,rotateAngle:0,bondLength_2D:20,angstromsPerBondLength:1.25,lightDirection_3D:[-.1,-.1,-1],lightDiffuseColor_3D:"#FFFFFF",lightSpecularColor_3D:"#FFFFFF",projectionPerspective_3D:!0,projectionPerspectiveVerticalFieldOfView_3D:45,projectionOrthoWidth_3D:40,projectionWidthHeightRatio_3D:k,projectionFrontCulling_3D:.1,projectionBackCulling_3D:1E4,cullBackFace_3D:!0,fog_mode_3D:0,fog_color_3D:"#000000",fog_start_3D:0,fog_end_3D:1,
fog_density_3D:1,shadow_3D:!1,shadow_intensity_3D:.85,flat_color_3D:!1,antialias_3D:!0,gammaCorrection_3D:2.2,colorHover:"#885110",colorSelect:"#0060B2",colorError:"#c10000",colorPreview:"#00FF00",ssao_3D:!1,ssao_kernel_radius:17,ssao_kernel_samples:32,ssao_power:1,outline_3D:!1,outline_thickness:1,outline_normal_threshold:.85,outline_depth_threshold:.1,fxaa_edgeThreshold:.0625,fxaa_edgeThresholdMin:1/12,fxaa_searchSteps:64,fxaa_searchThreshold:.25,fxaa_subpixCap:1,fxaa_subpixTrim:0,atoms_display:!0,
atoms_color:"#000000",atoms_font_size_2D:12,atoms_font_families_2D:["Helvetica","Arial","Dialog"],atoms_font_bold_2D:!1,atoms_font_italic_2D:!1,atoms_circles_2D:!1,atoms_circleDiameter_2D:10,atoms_circleBorderWidth_2D:1,atoms_lonePairDistance_2D:8,atoms_lonePairSpread_2D:4,atoms_lonePairDiameter_2D:1,atoms_useJMOLColors:!1,atoms_usePYMOLColors:!1,atoms_HBlack_2D:!0,atoms_implicitHydrogens_2D:!0,atoms_displayTerminalCarbonLabels_2D:!1,atoms_showHiddenCarbons_2D:!0,atoms_showAttributedCarbons_2D:!0,
atoms_displayAllCarbonLabels_2D:!1,atoms_resolution_3D:30,atoms_sphereDiameter_3D:.8,atoms_useVDWDiameters_3D:!1,atoms_vdwMultiplier_3D:1,atoms_materialAmbientColor_3D:"#000000",atoms_materialSpecularColor_3D:"#555555",atoms_materialShininess_3D:32,atoms_nonBondedAsStars_3D:!1,atoms_displayLabels_3D:!1,bonds_display:!0,bonds_color:"#000000",bonds_width_2D:1,bonds_useAbsoluteSaturationWidths_2D:!0,bonds_saturationWidth_2D:.2,bonds_saturationWidthAbs_2D:5,bonds_ends_2D:"round",bonds_splitColor:!1,bonds_colorGradient:!1,
bonds_saturationAngle_2D:n.PI/3,bonds_symmetrical_2D:!1,bonds_clearOverlaps_2D:!1,bonds_overlapClearWidth_2D:.5,bonds_atomLabelBuffer_2D:1,bonds_wedgeThickness_2D:6,bonds_wavyLength_2D:4,bonds_hashWidth_2D:1,bonds_hashSpacing_2D:2.5,bonds_dotSize_2D:2,bonds_lewisStyle_2D:!1,bonds_showBondOrders_3D:!1,bonds_resolution_3D:30,bonds_renderAsLines_3D:!1,bonds_cylinderDiameter_3D:.3,bonds_pillLatitudeResolution_3D:10,bonds_pillLongitudeResolution_3D:20,bonds_pillHeight_3D:.3,bonds_pillSpacing_3D:.1,bonds_pillDiameter_3D:.3,
bonds_materialAmbientColor_3D:"#000000",bonds_materialSpecularColor_3D:"#555555",bonds_materialShininess_3D:32,proteins_displayRibbon:!0,proteins_displayBackbone:!1,proteins_backboneThickness:1.5,proteins_backboneColor:"#CCCCCC",proteins_ribbonCartoonize:!1,proteins_displayPipePlank:!1,proteins_residueColor:"none",proteins_primaryColor:"#FF0D0D",proteins_secondaryColor:"#FFFF30",proteins_ribbonCartoonHelixPrimaryColor:"#00E740",proteins_ribbonCartoonHelixSecondaryColor:"#9905FF",proteins_ribbonCartoonSheetColor:"#E8BB99",
proteins_tubeColor:"#FF0D0D",proteins_tubeResolution_3D:15,proteins_ribbonThickness:.2,proteins_tubeThickness:.5,proteins_plankSheetWidth:3.5,proteins_cylinderHelixDiameter:4,proteins_verticalResolution:8,proteins_horizontalResolution:8,proteins_materialAmbientColor_3D:"#000000",proteins_materialSpecularColor_3D:"#555555",proteins_materialShininess_3D:32,nucleics_display:!0,nucleics_tubeColor:"#CCCCCC",nucleics_baseColor:"#C10000",nucleics_residueColor:"none",nucleics_tubeThickness:1.5,nucleics_tubeResolution_3D:15,
nucleics_verticalResolution:8,nucleics_materialAmbientColor_3D:"#000000",nucleics_materialSpecularColor_3D:"#555555",nucleics_materialShininess_3D:32,macro_displayAtoms:!1,macro_displayBonds:!1,macro_atomToLigandDistance:-1,macro_showWater:!1,macro_colorByChain:!1,macro_rainbowColors:["#0000FF","#00FFFF","#00FF00","#FFFF00","#FF0000"],surfaces_display:!0,surfaces_alpha:.5,surfaces_style:"Solid",surfaces_color:"white",surfaces_materialAmbientColor_3D:"#000000",surfaces_materialSpecularColor_3D:"#000000",
surfaces_materialShininess_3D:32,plots_color:"#000000",plots_width:1,plots_showIntegration:!1,plots_integrationColor:"#c10000",plots_integrationLineWidth:1,plots_showGrid:!1,plots_gridColor:"gray",plots_gridLineWidth:.5,plots_showYAxis:!0,plots_flipXAxis:!1,text_font_size:12,text_font_families:["Helvetica","Arial","Dialog"],text_font_bold:!0,text_font_italic:!1,text_font_stroke_3D:!0,text_color:"#000000",shapes_color:"#000000",shapes_lineWidth:1,shapes_pointSize:2,shapes_arrowLength_2D:8,compass_display:!1,
compass_axisXColor_3D:"#FF0000",compass_axisYColor_3D:"#00FF00",compass_axisZColor_3D:"#0000FF",compass_size_3D:50,compass_resolution_3D:10,compass_displayText_3D:!0,compass_type_3D:0,measurement_update_3D:!1,measurement_angleBands_3D:10,measurement_displayText_3D:!0};p.Styles=function(b){d.assign(this,r.parse(r.stringify(b===k?e.DEFAULT_STYLES:b)))};n=p.Styles.prototype;n.set3DRepresentation=function(b){this.bonds_display=this.atoms_display=!0;this.bonds_color="#777777";this.bonds_showBondOrders_3D=
this.bonds_splitColor=this.atoms_useJMOLColors=this.atoms_useVDWDiameters_3D=!0;this.bonds_renderAsLines_3D=!1;"Ball and Stick"===b?(this.atoms_vdwMultiplier_3D=.3,this.bonds_splitColor=!1,this.bonds_cylinderDiameter_3D=.3,this.bonds_materialAmbientColor_3D=ChemDoodle.DEFAULT_STYLES.atoms_materialAmbientColor_3D,this.bonds_pillDiameter_3D=.15):"van der Waals Spheres"===b?(this.bonds_display=!1,this.atoms_vdwMultiplier_3D=1):"Stick"===b?(this.bonds_showBondOrders_3D=this.atoms_useVDWDiameters_3D=!1,
this.bonds_cylinderDiameter_3D=this.atoms_sphereDiameter_3D=.8,this.bonds_materialAmbientColor_3D=this.atoms_materialAmbientColor_3D):"Wireframe"===b?(this.atoms_useVDWDiameters_3D=!1,this.bonds_cylinderDiameter_3D=this.bonds_pillDiameter_3D=.05,this.atoms_sphereDiameter_3D=.15,this.bonds_materialAmbientColor_3D=ChemDoodle.DEFAULT_STYLES.atoms_materialAmbientColor_3D):"Line"===b?(this.atoms_display=!1,this.bonds_renderAsLines_3D=!0,this.bonds_width_2D=1,this.bonds_cylinderDiameter_3D=.05):alert('"'+
b+'" is not recognized. Use one of the following strings:\n\n1. Ball and Stick\n2. van der Waals Spheres\n3. Stick\n4. Wireframe\n5. Line\n')};n.copy=function(){return new p.Styles(this)}})(ChemDoodle,ChemDoodle.structures,Math,JSON,Object);
(function(e,p,n,r,d){n.getPointsPerAngstrom=function(){return e.DEFAULT_STYLES.bondLength_2D/e.DEFAULT_STYLES.angstromsPerBondLength};n.BondDeducer=function(){};d=n.BondDeducer.prototype;d.margin=1.1;d.deduceCovalentBonds=function(d,b){let c=n.getPointsPerAngstrom();b&&(c=b);for(let e=0,a=d.atoms.length;e<a;e++)for(b=e+1;b<a;b++){let a=d.atoms[e],h=d.atoms[b];a.distance3D(h)<(p[a.label].covalentRadius+p[h.label].covalentRadius)*c*this.margin&&d.bonds.push(new r.Bond(a,h,1))}}})(ChemDoodle,ChemDoodle.ELEMENT,
ChemDoodle.informatics,ChemDoodle.structures);
(function(e,p,n){e.HydrogenDeducer=function(){};e.HydrogenDeducer.prototype.removeHydrogens=function(e,d){let k=[],b=[];for(let c=0,h=e.bonds.length;c<h;c++){let a=e.bonds[c],g="H"!==a.a1.label&&"H"!==a.a2.label;g||d||a.stereo===p.Bond.STEREO_NONE||(g=!0);g?(a.a1.tag=!0,b.push(a)):("H"===a.a1.label&&(a.a1.remove=!0),"H"===a.a2.label&&(a.a2.remove=!0))}for(let b=0,h=e.atoms.length;b<h;b++)d=e.atoms[b],d.remove?d.remove=n:k.push(d);e.atoms=k;e.bonds=b}})(ChemDoodle.informatics,ChemDoodle.structures);
(function(e,p,n){e.Splitter=function(){};e.Splitter.prototype.split=function(e){let d=[];for(let b=0,d=e.atoms.length;b<d;b++)e.atoms[b].visited=!1;for(let b=0,d=e.bonds.length;b<d;b++)e.bonds[b].visited=!1;for(let c=0,h=e.atoms.length;c<h;c++){var k=e.atoms[c];if(!k.visited){let a=new p.Molecule;a.atoms.push(k);k.visited=!0;let c=new p.Queue;for(c.enqueue(k);!c.isEmpty();){k=c.dequeue();for(let d=0,g=e.bonds.length;d<g;d++){var b=e.bonds[d];b.contains(k)&&!b.visited&&(b.visited=!0,a.bonds.push(b),
b=b.getNeighbor(k),b.visited||(b.visited=!0,a.atoms.push(b),c.enqueue(b)))}}d.push(a)}}return d}})(ChemDoodle.informatics,ChemDoodle.structures);(function(e,p,n,r){e.StructureBuilder=function(){};e.StructureBuilder.prototype.copy=function(d){let e=new p.JSONInterpreter;return e.molFrom(e.molTo(d))}})(ChemDoodle.informatics,ChemDoodle.io,ChemDoodle.structures);
(function(e,p){e._Counter=function(){};e=e._Counter.prototype;e.value=0;e.molecule=p;e.setMolecule=function(e){this.value=0;this.molecule=e;this.innerCalculate&&this.innerCalculate()}})(ChemDoodle.informatics);(function(e,p){e.FrerejacqueNumberCounter=function(e){this.setMolecule(e)};(e.FrerejacqueNumberCounter.prototype=new e._Counter).innerCalculate=function(){this.value=this.molecule.bonds.length-this.molecule.atoms.length+(new e.NumberOfMoleculesCounter(this.molecule)).value}})(ChemDoodle.informatics);
(function(e,p,n){p.NumberOfMoleculesCounter=function(e){this.setMolecule(e)};(p.NumberOfMoleculesCounter.prototype=new p._Counter).innerCalculate=function(){for(let d=0,e=this.molecule.atoms.length;d<e;d++)this.molecule.atoms[d].visited=!1;for(let d=0,k=this.molecule.atoms.length;d<k;d++)if(!this.molecule.atoms[d].visited){this.value++;let b=new e.Queue;this.molecule.atoms[d].visited=!0;for(b.enqueue(this.molecule.atoms[d]);!b.isEmpty();){let c=b.dequeue();for(let d=0,a=this.molecule.bonds.length;d<
a;d++){var n=this.molecule.bonds[d];n.contains(c)&&(n=n.getNeighbor(c),n.visited||(n.visited=!0,b.enqueue(n)))}}}}})(ChemDoodle.structures,ChemDoodle.informatics);
(function(e,p){e._RingFinder=function(){};e=e._RingFinder.prototype;e.atoms=p;e.bonds=p;e.rings=p;e.reduce=function(e){for(let d=0,k=e.atoms.length;d<k;d++)e.atoms[d].visited=!1;for(let d=0,k=e.bonds.length;d<k;d++)e.bonds[d].visited=!1;let n=!0;for(;n;){n=!1;for(let d=0,k=e.atoms.length;d<k;d++){let b=0,c;for(let h=0,a=e.bonds.length;h<a;h++)if(e.bonds[h].contains(e.atoms[d])&&!e.bonds[h].visited){b++;if(2===b)break;c=e.bonds[h]}1===b&&(n=!0,c.visited=!0,e.atoms[d].visited=!0)}}for(let d=0,k=e.atoms.length;d<
k;d++)e.atoms[d].visited||this.atoms.push(e.atoms[d]);for(let d=0,k=e.bonds.length;d<k;d++)e.bonds[d].visited||this.bonds.push(e.bonds[d]);0===this.bonds.length&&0!==this.atoms.length&&(this.atoms=[])};e.setMolecule=function(e){this.atoms=[];this.bonds=[];this.rings=[];this.reduce(e);2<this.atoms.length&&this.innerGetRings&&this.innerGetRings()};e.fuse=function(){for(let e=0,r=this.rings.length;e<r;e++)for(let d=0,k=this.bonds.length;d<k;d++)-1!==this.rings[e].atoms.indexOf(this.bonds[d].a1)&&-1!==
this.rings[e].atoms.indexOf(this.bonds[d].a2)&&this.rings[e].bonds.push(this.bonds[d])}})(ChemDoodle.informatics);
(function(e,p,n){function r(d,b){this.atoms=[];if(b)for(let c=0,d=b.atoms.length;c<d;c++)this.atoms[c]=b.atoms[c];this.atoms.push(d)}let d=r.prototype;d.grow=function(d,b){let c=this.atoms[this.atoms.length-1],e=[];for(let a=0,g=d.length;a<g;a++)if(d[a].contains(c)){let g=d[a].getNeighbor(c);-1===b.indexOf(g)&&e.push(g)}d=[];for(let a=0,b=e.length;a<b;a++)d.push(new r(e[a],this));return d};d.check=function(d,b,c){for(let a=0,c=b.atoms.length-1;a<c;a++)if(-1!==this.atoms.indexOf(b.atoms[a]))return n;
let e;if(b.atoms[b.atoms.length-1]===this.atoms[this.atoms.length-1]){e=new p.Ring;e.atoms[0]=c;for(let a=0,b=this.atoms.length;a<b;a++)e.atoms.push(this.atoms[a]);for(d=b.atoms.length-2;0<=d;d--)e.atoms.push(b.atoms[d])}else{let a=[];for(let c=0,e=d.length;c<e;c++)d[c].contains(b.atoms[b.atoms.length-1])&&a.push(d[c]);for(let g=0,h=a.length;g<h;g++)if((1===b.atoms.length||!a[g].contains(b.atoms[b.atoms.length-2]))&&a[g].contains(this.atoms[this.atoms.length-1])){e=new p.Ring;e.atoms[0]=c;for(let a=
0,b=this.atoms.length;a<b;a++)e.atoms.push(this.atoms[a]);for(d=b.atoms.length-1;0<=d;d--)e.atoms.push(b.atoms[d]);break}}return e};e.EulerFacetRingFinder=function(d){this.setMolecule(d)};e=e.EulerFacetRingFinder.prototype=new e._RingFinder;e.fingerBreak=5;e.innerGetRings=function(){for(let g=0,h=this.atoms.length;g<h;g++){let h=[];for(let a=0,b=this.bonds.length;a<b;a++)this.bonds[a].contains(this.atoms[g])&&h.push(this.bonds[a].getNeighbor(this.atoms[g]));for(let m=0,k=h.length;m<k;m++)for(let l=
m+1;l<h.length;l++){var d=[];d[0]=new r(h[m]);d[1]=new r(h[l]);var b=[];b[0]=this.atoms[g];for(let a=0,c=h.length;a<c;a++)a!==m&&a!==l&&b.push(h[a]);var c=[],e=d[0].check(this.bonds,d[1],this.atoms[g]);for(e&&(c[0]=e);0===c.length&&0<d.length&&d[0].atoms.length<this.fingerBreak;){e=[];for(let c=0,g=d.length;c<g;c++){var a=d[c].grow(this.bonds,b);for(let b=0,c=a.length;b<c;b++)e.push(a[b])}d=e;for(let b=0,h=d.length;b<h;b++)for(e=b+1;e<h;e++)(a=d[b].check(this.bonds,d[e],this.atoms[g]))&&c.push(a);
if(0===c.length){e=[];for(let c=0,d=b.length;c<d;c++)for(let d=0,f=this.bonds.length;d<f;d++)this.bonds[d].contains(b[c])&&(a=this.bonds[d].getNeighbor(b[c]),-1===b.indexOf(a)&&-1===e.indexOf(a)&&e.push(a));for(let a=0,c=e.length;a<c;a++)b.push(e[a])}}if(0<c.length){d=n;for(let a=0,b=c.length;a<b;a++)if(!d||d.atoms.length>c[a].atoms.length)d=c[a];c=!1;for(let a=0,g=this.rings.length;a<g;a++){b=!0;for(let c=0,f=d.atoms.length;c<f;c++)if(-1===this.rings[a].atoms.indexOf(d.atoms[c])){b=!1;break}if(b){c=
!0;break}}c||this.rings.push(d)}}}this.fuse()}})(ChemDoodle.informatics,ChemDoodle.structures);
(function(e,p){e.SSSRFinder=function(n){this.rings=[];if(0<n.atoms.length){let r=(new e.FrerejacqueNumberCounter(n)).value,d=(new e.EulerFacetRingFinder(n)).rings;d.sort(function(d,b){return d.atoms.length-b.atoms.length});for(let d=0,b=n.bonds.length;d<b;d++)n.bonds[d].visited=!1;for(let e=0,b=d.length;e<b;e++){n=!1;for(let b=0,h=d[e].bonds.length;b<h;b++)if(!d[e].bonds[b].visited){n=!0;break}if(n){for(let b=0,h=d[e].bonds.length;b<h;b++)d[e].bonds[b].visited=!0;this.rings.push(d[e])}if(this.rings.length===
r)break}}}})(ChemDoodle.informatics);(function(e,p){e._Interpreter=function(){};e._Interpreter.prototype.fit=function(e,r,d){let k=e.length,b=[];for(let c=0;c<r-k;c++)b.push(" ");return d?e+b.join(""):b.join("")+e}})(ChemDoodle.io);
(function(e,p,n,r,d,k,b,c){let h=/\s+/g,a=/\(|\)|\s+/g,g=/'|\s+/g,m=/,|'|\s+/g,v=/^\s+/,l=/[0-9]/g,x=/[0-9]|\+|\-/g,u=function(a){return 0!==a.length},w={P:[],A:[[0,.5,.5]],B:[[.5,0,.5]],C:[[.5,.5,0]],I:[[.5,.5,.5]],R:[[2/3,1/3,1/3],[1/3,2/3,2/3]],S:[[1/3,1/3,2/3],[2/3,2/3,1/3]],T:[[1/3,2/3,1/3],[2/3,1/3,2/3]],F:[[0,.5,.5],[.5,0,.5],[.5,.5,0]]},z=function(a){let b=0,c=0,f=0,d=0;var g=a.indexOf("x"),e=a.indexOf("y");let h=a.indexOf("z");-1!==g&&(c++,0<g&&"+"!==a.charAt(g-1)&&(c*=-1));-1!==e&&(f++,
0<e&&"+"!==a.charAt(e-1)&&(f*=-1));-1!==h&&(d++,0<h&&"+"!==a.charAt(h-1)&&(d*=-1));if(2<a.length){g="+";for(let c=0,f=a.length;c<f;c++)e=a.charAt(c),"-"!==e&&"/"!==e||c!==a.length-1&&!a.charAt(c+1).match(l)||(g=e),e.match(l)&&("+"===g?b+=parseInt(e):"-"===g?b-=parseInt(e):"/"===g&&(b/=parseInt(e)))}return[b,c,f,d]};p.CIFInterpreter=function(){};p.CIFInterpreter.generateABC2XYZ=function(a,b,c,g,e,h){g=(d.cos(g)-d.cos(h)*d.cos(e))/d.sin(h);return[a,0,0,0,b*d.cos(h),b*d.sin(h),0,0,c*d.cos(e),c*g,c*d.sqrt(1-
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a:"_atom_site_fract_y"===J?X=a:"_atom_site_fract_z"===J&&(ha=a);for(let a=0,b=E.lines.length;a<b;a++){J=E.lines[a];J=J.split(h).filter(u);var R=new n.Atom(J[-1===O?Q:O].split(x)[0],parseFloat(J[V]),parseFloat(J[X]),parseFloat(J[ha]));f.atoms.push(R);-1!==Q&&(R.cifId=J[Q],R.cifPart=0)}}if(Z&&!fa){E=0;for(let a=0,b=Z.fields.length;a<b;a++)if(J=Z.fields[a],"_symmetry_equiv_pos_as_xyz"===J||"_space_group_symop_operation_xyz"===J)E=a;J=w[P];P=[];for(let a=0,b=Z.lines.length;a<b;a++){V=Z.lines[a].split(m).filter(u);
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(function(e,p,n,r,d){n.MOLInterpreter=function(){};let k=n.MOLInterpreter.prototype=new n._Interpreter;k.version=2;k.read=function(b,a){a||(a=e.DEFAULT_STYLES.bondLength_2D);let c=new r.Molecule;if(!b)return c;b=b.split("\n");var h=b[3],k=parseInt(h.substring(0,3)),l=parseInt(h.substring(3,6));h="V3000"===h.substring(34,39).trim().toUpperCase()?3:2;if(2===h){for(var n=0;n<k;n++){h=b[4+n];var u=new r.Atom(h.substring(31,34),parseFloat(h.substring(0,10))*a,(1===a?1:-1)*parseFloat(h.substring(10,20))*
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6))-1],u);switch(n){case 3:h.stereo=r.Bond.STEREO_AMBIGUOUS;break;case 1:h.stereo=r.Bond.STEREO_PROTRUDING;break;case 6:h.stereo=r.Bond.STEREO_RECESSED}c.bonds[a]=h}}else if(3===h)for(let g=4,e=b.length;g<e;g++)if(l=b[g].trim(),l.startsWith("M  V30 "))if(l=l.substring(7),l.startsWith("BEGIN "))n=l.substring(6);else if(l.startsWith("END "))n=d;else if(k=l.split(/(\s+)/).filter(a=>0<a.trim().length),"ATOM"===n){l=new r.Atom(k[1],parseFloat(k[2])*a,(1===a?1:-1)*parseFloat(k[3])*a,parseFloat(k[4])*a);
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r.Bond.STEREO_AMBIGUOUS;break;case 1:l.stereo=r.Bond.STEREO_PROTRUDING;break;case 3:l.stereo=r.Bond.STEREO_RECESSED}c.bonds.push(l)}else if("COLLECTION"===n)if(l.startsWith("MDLV30/STEREL")){l=l.substring(13);h=l.indexOf(" ");k=parseInt(l.substring(0,h));l=l.substring(h+1);l=l.substring(7,l.length-1);l=l.split(/(\s+)/).filter(a=>0<a.trim().length);for(let a=1,b=l.length;a<b;a++)c.atoms[parseInt(l[a])-1].enhancedStereo={type:r.Atom.ESTEREO_OR,group:k}}else if(l.startsWith("MDLV30/STERAC")){l=l.substring(13);
h=l.indexOf(" ");k=parseInt(l.substring(0,h));l=l.substring(h+1);l=l.substring(7,l.length-1);l=l.split(/(\s+)/).filter(a=>0<a.trim().length);for(let a=1,b=l.length;a<b;a++)c.atoms[parseInt(l[a])-1].enhancedStereo={type:r.Atom.ESTEREO_AND,group:k}}return c};k.write=function(b){let a=[];a.push("Molecule from ChemDoodle Web Components\n\nhttp://www.ichemlabs.com\n");a.push(this.fit(b.atoms.length.toString(),3));a.push(this.fit(b.bonds.length.toString(),3));a.push("  0  0  0  0            999 V"+this.version+
"000\n");var c=b.getCenter();if(2===this.version){for(let g=0,m=b.atoms.length;g<m;g++){var d=b.atoms[g],h=" 0";if(-1!==d.mass&&p[d.label]){var l=d.mass-p[d.label].mass;5>l&&-4<l&&(h=(-1<l?" ":"")+l)}l="  0";if(0!==d.charge)switch(d.charge){case 3:l="  1";break;case 2:l="  2";break;case 1:l="  3";break;case -1:l="  5";break;case -2:l="  6";break;case -3:l="  7"}a.push(this.fit(((d.x-c.x)/e.DEFAULT_STYLES.bondLength_2D).toFixed(4),10));a.push(this.fit((-(d.y-c.y)/e.DEFAULT_STYLES.bondLength_2D).toFixed(4),
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1;a.push(this.fit(h.toString(),3));a.push("  ");a.push(d);a.push("  0  0  0\n")}}else if(3===this.version){a.push("M  V30 BEGIN CTAB\n");a.push("M  V30 COUNTS ");a.push(b.atoms.length);a.push(" ");a.push(b.bonds.length);a.push(" 0 0 0\n");a.push("M  V30 BEGIN ATOM\n");for(let d=0,g=b.atoms.length;d<g;d++){var k=b.atoms[d];a.push("M  V30 ");a.push(d+1);a.push(" ");a.push(k.label);a.push(" ");a.push(((k.x-c.x)/e.DEFAULT_STYLES.bondLength_2D).toFixed(6));a.push(" ");a.push((-(k.y-c.y)/e.DEFAULT_STYLES.bondLength_2D).toFixed(6));
a.push(" ");a.push((k.z/e.DEFAULT_STYLES.bondLength_2D).toFixed(6));a.push(" 0");0!==k.charge&&(a.push(" CHG\x3d"),a.push(k.charge));0!==k.numRadical&&(a.push(" RAD\x3d"),a.push(k.numRadical));-1!==k.mass&&(a.push(" MASS\x3d"),a.push(k.mass));a.push("\n")}a.push("M  V30 END ATOM\n");a.push("M  V30 BEGIN BOND\n");for(let d=0,g=b.bonds.length;d<g;d++){c=b.bonds[d];k=c.bondOrder;if(1.5==k)k=4;else if(3<k||0!=k%1)k=1;a.push("M  V30 ");a.push(d+1);a.push(" ");a.push(k);a.push(" ");a.push(b.atoms.indexOf(c.a1)+
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0,d=l.length;b<d;b++)if(k=l[b],k.group==c.enhancedStereo.group){a=k;break}a||(a={group:c.enhancedStereo.group,list:[]},l.push(a));a.list.push(c)}if(h&&(0<h.length||0<d.length)){a.push("M  V30 BEGIN COLLECTION\n");if(0<h.length)for(let c=0,d=h.length;c<d;c++){l=h[c];a.push("M  V30 MDLV30/STERAC");a.push(l.group);a.push(" ATOMS\x3d(");a.push(l.list.length);for(let c=0,d=l.list.length;c<d;c++)a.push(" "),a.push(b.atoms.indexOf(l.list[c])+1);a.push(")\n")}if(0<d.length)for(let c=0,g=d.length;c<g;c++){h=
d[c];a.push("M  V30 MDLV30/STEREL");a.push(h.group);a.push(" ATOMS\x3d(");a.push(h.list.length);for(let c=0,d=h.list.length;c<d;c++)a.push(" "),a.push(b.atoms.indexOf(h.list[c])+1);a.push(")\n")}a.push("M  V30 END COLLECTION\n")}a.push("M  V30 END CTAB\n")}a.push("M  END");return a.join("")};let b=new n.MOLInterpreter;e.readMOL=function(c,a){return b.read(c,a)};e.writeMOL=function(c){return b.write(c)};let c=new n.MOLInterpreter;c.version=3;e.writeMOLV3=function(b){return c.write(b)}})(ChemDoodle,
ChemDoodle.ELEMENT,ChemDoodle.io,ChemDoodle.structures);
(function(e,p,n,r,d,k,b){function c(a,b,c,d,e){for(let g=0,h=b.length;g<h;g++){let h=b[g];if(h.id===c&&d>=h.start&&d<=h.end){e?a.helix=!0:a.sheet=!0;d===h.end&&(a.arrow=!0);break}}}p.PDBInterpreter=function(){};b=p.PDBInterpreter.prototype=new p._Interpreter;b.calculateRibbonDistances=!1;b.deduceResidueBonds=!1;b.read=function(a,b){let g=new n.Molecule;g.chains=[];if(!a)return g;var h=a.split("\n");b||(b=1);var l=[];let p=[];let u=[];a=[];let w=[];for(let e=0,m=h.length;e<m;e++){var z=h[e];if(z.startsWith("HELIX"))l.push({id:z.substring(19,
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78)),0===y.length&&(y=d(z.substring(12,16))),1<y.length&&(y=y.substring(0,1)+y.substring(1).toLowerCase()),y=new n.Atom(y,parseFloat(z.substring(30,38))*b,parseFloat(z.substring(38,46))*b,parseFloat(z.substring(46,54))*b),y.hetatm=!0,"HOH"===d(z.substring(17,20))&&(y.isWater=!0),g.atoms.push(y),w[parseInt(d(z.substring(6,11)))]=y;else if(z.startsWith("CONECT")){if(y=parseInt(d(z.substring(6,11))),w[y])for(y=w[y],f=0;4>f;f++)if(q=d(z.substring(11+5*f,16+5*f)),0!==q.length&&(q=parseInt(q),w[q])){q=
w[q];A=!1;for(let a=0,b=g.bonds.length;a<b;a++){let b=g.bonds[a];if(b.a1===y&&b.a2===q||b.a1===q&&b.a2===y){A=!0;break}}A||g.bonds.push(new n.Bond(y,q))}}else if(z.startsWith("TER"))this.endChain(g,u,C,a),u=[];else if(z.startsWith("ENDMDL"))break}this.endChain(g,u,C,a);0===g.bonds.length&&(new e.informatics.BondDeducer).deduceCovalentBonds(g,b);if(this.deduceResidueBonds)for(let c=0,d=a.length;c<d;c++)for(b=k.min(d,c+20),C=c+1;C<b;C++)h=a[c],l=a[C],h.distance3D(l)<1.1*(r[h.label].covalentRadius+r[l.label].covalentRadius)&&
g.bonds.push(new n.Bond(h,l,1));g.atoms=g.atoms.concat(a);this.calculateRibbonDistances&&this.calculateDistances(g,a);return g};b.endChain=function(a,b,c,d){if(0<b.length){var g=b[b.length-1];g.cp1||(g.cp1=d[d.length-2]);g.cp2||(g.cp2=d[d.length-1]);for(d=0;4>d;d++)g=new n.Residue(-1),g.cp1=c,g.cp2=b[b.length-1].cp2,b.push(g);a.chains.push(b)}};b.calculateDistances=function(a,b){let c=[];for(let b=0,d=a.atoms.length;b<d;b++){let d=a.atoms[b];d.hetatm&&(d.isWater||c.push(d))}for(let d=0,g=b.length;d<
g;d++)if(a=b[d],a.closestDistance=Number.POSITIVE_INFINITY,0===c.length)a.closestDistance=0;else for(let b=0,d=c.length;b<d;b++)a.closestDistance=Math.min(a.closestDistance,a.distance3D(c[b]))};let h=new p.PDBInterpreter;e.readPDB=function(a,b){return h.read(a,b)}})(ChemDoodle,ChemDoodle.io,ChemDoodle.structures,ChemDoodle.ELEMENT,ChemDoodle.lib.jQuery.trim,Math);
(function(e,p,n,r,d){let k={"@":0,A:1,B:2,C:3,D:4,E:5,F:6,G:7,H:8,I:9,a:-1,b:-2,c:-3,d:-4,e:-5,f:-6,g:-7,h:-8,i:-9},b={"%":0,J:1,K:2,L:3,M:4,N:5,O:6,P:7,Q:8,R:9,j:-1,k:-2,l:-3,m:-4,n:-5,o:-6,p:-7,q:-8,r:-9},c={S:1,T:2,U:3,V:4,W:5,X:6,Y:7,Z:8,s:9};p.JCAMPInterpreter=function(){};r=p.JCAMPInterpreter.prototype=new p._Interpreter;r.convertHZ2PPM=!1;r.read=function(a){this.isBreak=function(a){return k[a]!==d||b[a]!==d||c[a]!==d||" "===a||"-"===a||"+"===a};this.getValue=function(a,c){let f=a.charAt(0);
a=a.substring(1);return k[f]!==d?parseFloat(k[f]+a):b[f]!==d?parseFloat(b[f]+a)+c:parseFloat(a)};let g=new n.Spectrum;if(a===d||0===a.length)return g;a=a.split("\n");let e=[],h,l,p,u,w=1,r=1,y=1,f=-1;var q=-1;let A=!0,C=!1;for(let m=0,v=a.length;m<v;m++){var B=a[m].trim(),D=B.indexOf("$$");-1!==D&&(B=B.substring(0,D));if(0!==e.length&&a[m].startsWith("##"))if(D=e.join(""),A&&100>D.length&&g.metadata.push(D),e=[B],D.startsWith("##TITLE\x3d"))g.title=D.substring(8).trim();else if(D.startsWith("##XUNITS\x3d"))g.xUnit=
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parseFloat(D.substring(10).trim());else if(D.startsWith("##YFACTOR\x3d"))r=parseFloat(D.substring(10).trim());else if(D.startsWith("##DELTAX\x3d"))parseFloat(D.substring(9).trim());else if(D.startsWith("##.OBSERVE FREQUENCY\x3d"))this.convertHZ2PPM&&(y=parseFloat(D.substring(21).trim()));else if(D.startsWith("##.SHIFT REFERENCE\x3d"))this.convertHZ2PPM&&(q=D.substring(19).split(","),f=parseInt(q[2].trim()),q=parseFloat(q[3].trim()));else if(D.startsWith("##XYDATA\x3d")){C||(y=1);B=A=!1;D=D.split("\n");
var F=(h-l)/(u-1),L=l-F,H=p,K=0;let a;for(let f=1,e=D.length;f<e;f++){var N=[];L=D[f].trim();H=[];for(let a=0,b=L.length;a<b;a++)this.isBreak(L.charAt(a))?(0<H.length&&(1!==H.length||" "!==H[0])&&N.push(H.join("")),H=[L.charAt(a)]):H.push(L.charAt(a));N.push(H.join(""));L=parseFloat(N[0])*w-F;for(let f=1,e=N.length;f<e;f++)if(H=N[f],c[H.charAt(0)]!==d){let b=parseInt(c[H.charAt(0)]+H.substring(1))-1;for(let c=0;c<b;c++)L+=F,K=this.getValue(a,K),H=K*r,g.data[g.data.length-1]=new n.Point(L/y,H)}else k[H.charAt(0)]!==
d&&B?H=this.getValue(H,K)*r:(B=b[H.charAt(0)]!==d,a=H,L+=F,K=this.getValue(H,K),H=K*r,g.data.push(new n.Point(L/y,H)))}if(-1!==f){B=q-g.data[f-1].x;for(let a=0,b=g.data.length;a<b;a++)g.data[a].x+=B}}else if(D.startsWith("##PEAK TABLE\x3d")){A=!1;g.continuous=!1;B=D.split("\n");D=/[\s,]+/;for(let a=1,b=B.length;a<b;a++){F=B[a].split(D);for(let a=0,b=F.length;a+1<b;a+=2)g.data.push(new n.Point(parseFloat(F[a].trim()),parseFloat(F[a+1].trim())))}}else if(D.startsWith("##ATOMLIST\x3d")){g.molecule=new n.Molecule;
B=D.split("\n");D=/[\s]+/;for(let a=1,b=B.length;a<b;a++)F=B[a].split(D),g.molecule.atoms.push(new n.Atom(F[1]))}else if(D.startsWith("##BONDLIST\x3d")){B=D.split("\n");D=/[\s]+/;for(let a=1,b=B.length;a<b;a++)F=B[a].split(D),K=1,"D"===F[2]?K=2:"T"===F[2]&&(K=3),g.molecule.bonds.push(new n.Bond(g.molecule.atoms[parseInt(F[0])-1],g.molecule.atoms[parseInt(F[1])-1],K))}else if(g.molecule&&D.startsWith("##XY_RASTER\x3d")){B=D.split("\n");D=/[\s]+/;for(let a=1,b=B.length;a<b;a++)F=B[a].split(D),K=g.molecule.atoms[parseInt(F[0])-
1],K.x=parseInt(F[1]),K.y=parseInt(F[2]),4==F.length&&(K.z=parseInt(F[3]));g.molecule.scaleToAverageBondLength(20)}else if(D.startsWith("##PEAK ASSIGNMENTS\x3d")){B=D.split("\n");D=/[\s,()<>]+/;g.assignments=[];for(let a=1,b=B.length;a<b;a++){N=B[a].split(D);F=parseFloat(N[1]);K=parseFloat(N[2]);N=g.molecule.atoms[parseInt(N[3])-1];L=!1;for(let a=0,b=g.assignments.length;a<b;a++)if(H=g.assignments[a],H.x===F){H.as.push(N);N.assigned=H;L=!0;break}L||(F={x:F,y:K,as:[N]},N.assigned=F,g.assignments.push(F))}}}else B=
B.trim(),0!==e.length&&0!==B.length&&e.push("\n"),e.push(B)}g.setup();return g};r.makeStructureSpectrumSet=function(a,b){this.convertHZ2PPM=!0;let c=this.read(b),g=new e.ViewerCanvas(a+"_molecule",200,200);g.styles.atoms_displayTerminalCarbonLabels_2D=!0;g.styles.atoms_displayImplicitHydrogens_2D=!0;g.mouseout=function(a){if(0!==this.molecules.length){for(let a=0,b=this.molecules[0].atoms.length;a<b;a++)this.molecules[0].atoms[a].isHover=!1;c.hovered=d;this.repaint();h.repaint()}};g.touchend=g.mouseout;
g.mousemove=function(a){if(0!==this.molecules.length){let b=d;for(let c=0,g=this.molecules[0].atoms.length;c<g;c++){let g=this.molecules[0].atoms[c];g.isHover=!1;g.assigned&&(b===d||a.p.distance(g)<a.p.distance(b))&&(b=g)}c.hovered=d;if(20>a.p.distance(b)){for(let a=0,c=b.assigned.as.length;a<c;a++)b.assigned.as[a].isHover=!0;h.spectrum.hovered=b.assigned}this.repaint();h.repaint()}};g.touchmove=g.mousemove;g.drawChildExtras=function(a,b){if(0!==this.molecules.length)for(let c=0,d=this.molecules[0].atoms.length;c<
d;c++)this.molecules[0].atoms[c].drawDecorations(a,b)};let h=new e.ObserverCanvas(a+"_spectrum",400,200);h.styles.plots_showYAxis=!1;h.styles.plots_flipXAxis=!0;h.mouseout=function(a){if(this.spectrum&&this.spectrum.assignments){for(let a=0,b=g.molecules[0].atoms.length;a<b;a++)g.molecules[0].atoms[a].isHover=!1;this.spectrum.hovered=d;g.repaint();this.repaint()}};h.touchend=h.mouseout;h.mousemove=function(a){if(this.spectrum&&this.spectrum.assignments){let b=d;for(let a=0,b=g.molecules[0].atoms.length;a<
b;a++)g.molecules[0].atoms[a].isHover=!1;this.spectrum.hovered=d;for(let c=0,g=this.spectrum.assignments.length;c<g;c++){let g=this.spectrum.assignments[c];if(b===d||Math.abs(this.spectrum.getTransformedX(g.x,this.styles,this.spectrum.memory.width,this.spectrum.memory.offsetLeft)-a.p.x)<Math.abs(this.spectrum.getTransformedX(b.x,this.styles,this.spectrum.memory.width,this.spectrum.memory.offsetLeft)-a.p.x))b=g}if(20>Math.abs(this.spectrum.getTransformedX(b.x,this.styles,this.spectrum.memory.width,
this.spectrum.memory.offsetLeft)-a.p.x)){for(let a=0,c=b.as.length;a<c;a++)b.as[a].isHover=!0;this.spectrum.hovered=b}g.repaint();this.repaint()}};h.touchmove=h.mousemove;h.drawChildExtras=function(a){if(this.spectrum&&this.spectrum.hovered){let b=this.spectrum.getTransformedX(this.spectrum.hovered.x,h.styles,this.spectrum.memory.width,this.spectrum.memory.offsetLeft);b>=this.spectrum.memory.offsetLeft&&b<this.spectrum.memory.width&&(a.save(),a.strokeStyle="#885110",a.lineWidth=3,a.beginPath(),a.moveTo(b,
this.spectrum.memory.height-this.spectrum.memory.offsetBottom),a.lineTo(b,this.spectrum.getTransformedY(this.spectrum.hovered.y,h.styles,this.spectrum.memory.height,this.spectrum.memory.offsetBottom,this.spectrum.memory.offsetTop)),a.stroke(),a.restore())}};c&&(h.loadSpectrum(c),c.molecule&&g.loadMolecule(c.molecule));return[g,h]};let h=new p.JCAMPInterpreter;h.convertHZ2PPM=!0;e.readJCAMP=function(a){return h.read(a)}})(ChemDoodle,ChemDoodle.io,ChemDoodle.structures,ChemDoodle.lib.jQuery);
(function(e,p,n,r,d,k,b){p.JSONInterpreter=function(){};let c=p.JSONInterpreter.prototype;c.contentTo=function(a,c){a||(a=[]);c||(c=[]);var d=!0;for(let c=0,e=a.length;c<e;c++){var g=a[c];for(let a=0,c=g.atoms.length;a<c;a++)if(g.atoms[a].pid===b){d=!1;break}if(d)for(let a=0,c=g.bonds.length;a<c;a++)if(g.bonds[a].pid===b){d=!1;break}}let e=g=0,h=0;for(let c=0,l=a.length;c<l;c++){let l=a[c],f=b;for(let a=0,c=l.atoms.length;a<c;a++){var k=l.atoms[a];if(d){if(k.tmpid="a"+k.pid,f===b||f>k.pid)f=k.pid}else k.tmpid=
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0,d=c.length;a<d;a++)c[a].tmpid=b;return d};c.contentFrom=function(a){let c={molecules:[],shapes:[]};if(a.m)for(let b=0,d=a.m.length;b<d;b++)c.molecules.push(this.molFrom(a.m[b]));if(a.s)for(let b=0,d=a.s.length;b<d;b++)c.shapes.push(this.shapeFrom(a.s[b],c.molecules));for(let d=0,g=c.molecules.length;d<g;d++){a=c.molecules[d];for(let c=0,d=a.atoms.length;c<d;c++)a.atoms[c].tmpid=b;for(let c=0,d=a.bonds.length;c<d;c++)a.bonds[c].tmpid=b}for(let a=0,d=c.shapes.length;a<d;a++)c.shapes[a].tmpid=b;return c};
c.queryTo=function(a){let b={},c=function(b,c,d,g){c&&(b[d]={v:g?a.outputRange(c.v):c.v,n:c.not})};a.type===n.Query.TYPE_ATOM?(c(b,a.elements,"as"),c(b,a.chirality,"@"),c(b,a.aromatic,"A"),c(b,a.charge,"C",!0),c(b,a.hydrogens,"H",!0),c(b,a.ringCount,"R",!0),c(b,a.saturation,"S"),c(b,a.connectivity,"X",!0),c(b,a.connectivityNoH,"x",!0)):(c(b,a.orders,"bs"),c(b,a.stereo,"@"),c(b,a.aromatic,"A"),c(b,a.ringCount,"R",!0));return b};c.molTo=function(a){let b={a:[]};a.tmpid&&(b.i=a.tmpid);for(let g=0,e=
a.atoms.length;g<e;g++){var c=a.atoms[g],d={x:c.x,y:c.y};c.tmpid&&(d.i=c.tmpid);"C"!==c.label&&(d.l=c.label);0!==c.z&&(d.z=c.z);0!==c.charge&&(d.c=c.charge);-1!==c.mass&&(d.m=c.mass);-1!==c.implicitH&&(d.h=c.implicitH);0!==c.numRadical&&(d.r=c.numRadical);0!==c.numLonePair&&(d.p=c.numLonePair);c.enhancedStereo&&c.enhancedStereo.type!==n.Atom.ESTEREO_ABSOLUTE&&(d.s2={t:c.enhancedStereo.type},1<c.enhancedStereo.group&&(d.s2.g=c.enhancedStereo.group));c.query&&(d.q=this.queryTo(c.query));b.a.push(d)}if(0<
a.bonds.length){b.b=[];for(let g=0,e=a.bonds.length;g<e;g++)c=a.bonds[g],d={b:a.atoms.indexOf(c.a1),e:a.atoms.indexOf(c.a2)},c.tmpid&&(d.i=c.tmpid),1!==c.bondOrder&&(d.o=c.bondOrder),c.stereo!==n.Bond.STEREO_NONE&&(d.s=c.stereo),c.query&&(d.q=this.queryTo(c.query)),b.b.push(d)}return b};c.queryFrom=function(a){let b=new n.Query(a.as?n.Query.TYPE_ATOM:n.Query.TYPE_BOND),c=function(a,b,c,d){b&&(a[c]={},a[c].v=d?a.parseRange(b.v):b.v,b.n&&(a[c].not=!0))};b.type===n.Query.TYPE_ATOM?(c(b,a.as,"elements"),
c(b,a["@"],"chirality"),c(b,a.A,"aromatic"),c(b,a.C,"charge",!0),c(b,a.H,"hydrogens",!0),c(b,a.R,"ringCount",!0),c(b,a.S,"saturation"),c(b,a.X,"connectivity",!0),c(b,a.x,"connectivityNoH",!0)):(c(b,a.bs,"orders"),c(b,a["@"],"stereo"),c(b,a.A,"aromatic"),c(b,a.R,"ringCount",!0));return b};c.molFrom=function(a){let c=new n.Molecule;for(let g=0,h=a.a.length;g<h;g++){var d=a.a[g],e=new n.Atom(d.l?d.l:"C",d.x,d.y);d.i&&(e.tmpid=d.i);d.z&&(e.z=d.z);d.c&&(e.charge=d.c);d.m&&(e.mass=d.m);d.h&&(e.implicitH=
d.h);d.r&&(e.numRadical=d.r);d.p&&(e.numLonePair=d.p);d.s2&&(e.enhancedStereo={type:d.s2.t,group:d.s2.g===b?1:d.s2.g});d.q&&(e.query=this.queryFrom(d.q));d.p_h!==b&&(e.hetatm=d.p_h);d.p_w!==b&&(e.isWater=d.p_w);d.p_d!==b&&(e.closestDistance=d.p_d);c.atoms.push(e)}if(a.b)for(let g=0,h=a.b.length;g<h;g++)d=a.b[g],e=new n.Bond(c.atoms[d.b],c.atoms[d.e],d.o===b?1:d.o),d.i&&(e.tmpid=d.i),d.s&&(e.stereo=d.s),d.q&&(e.query=this.queryFrom(d.q)),c.bonds.push(e);return c};c.shapeTo=function(a){let b={};a.tmpid&&
(b.i=a.tmpid);if(a instanceof r.Line)b.t="Line",b.x1=a.p1.x,b.y1=a.p1.y,b.x2=a.p2.x,b.y2=a.p2.y,b.a=a.arrowType;else if(a instanceof r.Pusher)b.t="Pusher",b.o1=a.o1.tmpid,b.o2=a.o2.tmpid,1!==a.numElectron&&(b.e=a.numElectron);else if(a instanceof r.AtomMapping)b.t="AtomMapping",b.a1=a.o1.tmpid,b.a2=a.o2.tmpid;else if(a instanceof r.Bracket)b.t="Bracket",b.x1=a.p1.x,b.y1=a.p1.y,b.x2=a.p2.x,b.y2=a.p2.y,0!==a.charge&&(b.c=a.charge),0!==a.mult&&(b.m=a.mult),0!==a.repeat&&(b.r=a.repeat);else if(a instanceof
r.RepeatUnit)b.t="RepeatUnit",b.b1=a.b1.tmpid,b.b2=a.b2.tmpid,b.n1=a.n1,b.n2=a.n2,!0===a.flip&&(b.f=!0);else if(a instanceof r.VAP){b.t="VAP";b.x=a.asterisk.x;b.y=a.asterisk.y;1!==a.bondType&&(b.o=a.bondType);a.substituent&&(b.s=a.substituent.tmpid);b.a=[];for(let c=0,d=a.attachments.length;c<d;c++)b.a.push(a.attachments[c].tmpid)}else if(a instanceof d.Distance)b.t="Distance",b.a1=a.a1.tmpid,b.a2=a.a2.tmpid,a.node&&(b.n=a.node,b.o=a.offset);else if(a instanceof d.Angle)b.t="Angle",b.a1=a.a1.tmpid,
b.a2=a.a2.tmpid,b.a3=a.a3.tmpid;else if(a instanceof d.Torsion)b.t="Torsion",b.a1=a.a1.tmpid,b.a2=a.a2.tmpid,b.a3=a.a3.tmpid,b.a4=a.a4.tmpid;else if(a instanceof d._Surface){b.t="Surface";b.a=[];for(let c=0,d=a.atoms.length;c<d;c++)b.a.push(a.atoms[c].tmpid);a instanceof d.VDWSurface||(b.p=a.probeRadius);b.r=a.resolution;let c="vdw";a instanceof d.SASSurface?c="sas":d.SESSurface&&a instanceof d.SESSurface&&(c="ses");b.f=c}else a instanceof d.UnitCell&&(b.t="UnitCell",b.ls=a.lengths,b.as=a.angles,
b.os=a.offset);return b};c.shapeFrom=function(a,c){if("Line"===a.t){var e=new r.Line(new n.Point(a.x1,a.y1),new n.Point(a.x2,a.y2));e.arrowType=a.a}else if("Pusher"===a.t){var g,h;for(let b=0,d=c.length;b<d;b++){e=c[b];for(let b=0,c=e.atoms.length;b<c;b++){var k=e.atoms[b];k.tmpid===a.o1?g=k:k.tmpid===a.o2&&(h=k)}for(let b=0,c=e.bonds.length;b<c;b++)k=e.bonds[b],k.tmpid===a.o1?g=k:k.tmpid===a.o2&&(h=k)}e=new r.Pusher(g,h);a.e&&(e.numElectron=a.e)}else if("AtomMapping"===a.t){let b;for(let d=0,h=c.length;d<
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e.n1=a.n1;e.n2=a.n2;a.f&&(e.flip=!0)}else if("VAP"===a.t){e=new r.VAP(a.x,a.y);a.o&&(e.bondType=a.o);for(let b=0,d=c.length;b<d;b++){g=c[b];for(let b=0,c=g.atoms.length;b<c;b++)if(h=g.atoms[b],h.tmpid===a.s)e.substituent=h;else for(let b=0,c=a.a.length;b<c;b++)h.tmpid===a.a[b]&&e.attachments.push(h)}}else if("Distance"===a.t){let b,h;for(let d=0,l=c.length;d<l;d++){e=c[d];for(let c=0,d=e.atoms.length;c<d;c++)g=e.atoms[c],g.tmpid===a.a1?b=g:g.tmpid===a.a2&&(h=g)}e=new d.Distance(b,h,a.n,a.o)}else if("Angle"===
a.t){let b,h,l;for(let d=0,f=c.length;d<f;d++){e=c[d];for(let c=0,d=e.atoms.length;c<d;c++)g=e.atoms[c],g.tmpid===a.a1?b=g:g.tmpid===a.a2?h=g:g.tmpid===a.a3&&(l=g)}e=new d.Angle(b,h,l)}else if("Torsion"===a.t){let b,h,l,k;for(let d=0,m=c.length;d<m;d++){e=c[d];for(let c=0,d=e.atoms.length;c<d;c++)g=e.atoms[c],g.tmpid===a.a1?b=g:g.tmpid===a.a2?h=g:g.tmpid===a.a3?l=g:g.tmpid===a.a4&&(k=g)}e=new d.Torsion(b,h,l,k)}else if("Surface"===a.t){g=[];for(let b=0,d=c.length;b<d;b++){h=c[b];for(let b=0,c=h.atoms.length;b<
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for(let a=0,b=d.length;a<b;a++){let b=d[a],c=new n.Residue;c.name=b.n;c.cp1=new n.Atom("",b.x1,b.y1,b.z1);c.cp2=new n.Atom("",b.x2,b.y2,b.z2);b.x3&&(c.cp3=new n.Atom("",b.x3,b.y3,b.z3),c.cp4=new n.Atom("",b.x4,b.y4,b.z4),c.cp5=new n.Atom("",b.x5,b.y5,b.z5));c.helix=b.h;c.sheet=b.s;c.arrow=0<a&&d[a-1].a;e.push(c)}b.push(e)}return b};let h=new p.JSONInterpreter;e.readJSON=function(a){let c;try{c=k.parse(a)}catch(m){return b}return c?c.m||c.s?h.contentFrom(c):c.a?{molecules:[h.molFrom(c)],shapes:[]}:
{molecules:[],shapes:[]}:b};e.writeJSON=function(a,b){return k.stringify(h.contentTo(a,b))}})(ChemDoodle,ChemDoodle.io,ChemDoodle.structures,ChemDoodle.structures.d2,ChemDoodle.structures.d3,JSON);
(function(e,p,n,r){p.RXNInterpreter=function(){};let d=p.RXNInterpreter.prototype=new p._Interpreter;d.read=function(b,c){c||(c=e.DEFAULT_STYLES.bondLength_2D);let d=[];if(b){var a=b.split("$MOL\n");b=a[0].split("\n")[4];var g=parseInt(b.substring(0,3)),k=parseInt(b.substring(3,6)),r=1;b=0;for(let h=0,m=g+k;h<m;h++){d[h]=e.readMOL(a[r],c);let g=d[h].getBounds();b-=g.maxX-g.minX+40;r++}for(let e=0,h=g;e<h;e++){c=d[e].getBounds();c=c.maxX-c.minX;a=d[e].getCenter();for(let g=0,h=d[e].atoms.length;g<
h;g++)r=d[e].atoms[g],r.x+=b+c/2-a.x,r.y-=a.y;b+=c+40}c=new n.d2.Line(new n.Point(b,0),new n.Point(b+40,0));b+=80;for(let c=g,e=g+k;c<e;c++){g=d[c].getBounds();g=g.maxX-g.minX;k=d[c].getCenter();for(a=0;a<d[c].atoms.length;a++)r=d[c].atoms[a],r.x+=b+g/2-k.x,r.y-=k.y;b+=g+40}}else d.push(new n.Molecule),c=new n.d2.Line(new n.Point(-20,0),new n.Point(20,0));c.arrowType=n.d2.Line.ARROW_SYNTHETIC;return{molecules:d,shapes:[c]}};d.write=function(b,c){let d=r;if(b&&c){for(let a=0,b=c.length;a<b;a++)if(c[a]instanceof
n.d2.Line){d=c[a];break}if(!d)return"";b=(new n.Reaction).resolve(d,b);c=[];c.push("$RXN\nReaction from ChemDoodle Web Components\n\nhttp://www.ichemlabs.com\n");c.push(this.fit(b.reactants.length.toString(),3));c.push(this.fit(b.products.length.toString(),3));c.push("\n");for(let a=0,d=b.reactants.length;a<d;a++)c.push("$MOL\n"),c.push(e.writeMOL(b.reactants[a])),c.push("\n");for(let a=0,d=b.products.length;a<d;a++)c.push("$MOL\n"),c.push(e.writeMOL(b.products[a])),c.push("\n");return c.join("")}};
let k=new p.RXNInterpreter;e.readRXN=function(b,c){return k.read(b,c)};e.writeRXN=function(b,c){return k.write(b,c)}})(ChemDoodle,ChemDoodle.io,ChemDoodle.structures);
(function(e,p,n,r,d,k,b){r.XYZInterpreter=function(){};p=r.XYZInterpreter.prototype=new r._Interpreter;p.deduceCovalentBonds=!0;p.read=function(b){let a=new d.Molecule;if(!b)return a;b=b.split("\n");let c=parseInt(k(b[0]));for(let e=0;e<c;e++){let c=b[e+2].split(/\s+/g);a.atoms[e]=new d.Atom(isNaN(c[0])?c[0]:n[parseInt(c[0])-1],parseFloat(c[1]),parseFloat(c[2]),parseFloat(c[3]))}this.deduceCovalentBonds&&(new e.informatics.BondDeducer).deduceCovalentBonds(a,1);return a};let c=new r.XYZInterpreter;
e.readXYZ=function(b){return c.read(b)}})(ChemDoodle,ChemDoodle.ELEMENT,ChemDoodle.SYMBOLS,ChemDoodle.io,ChemDoodle.structures,ChemDoodle.lib.jQuery.trim);
ChemDoodle.monitor=function(e,p,n,r){let d={};d.CANVAS_DRAGGING=r;d.CANVAS_OVER=r;d.ALT=!1;d.SHIFT=!1;d.META=!1;e.supports_touch()||p(n).ready(function(){p(n).mousemove(function(e){d.CANVAS_DRAGGING&&d.CANVAS_DRAGGING.drag&&(d.CANVAS_DRAGGING.prehandleEvent(e),d.CANVAS_DRAGGING.drag(e))});p(n).mouseup(function(e){d.CANVAS_DRAGGING&&d.CANVAS_DRAGGING!==d.CANVAS_OVER&&d.CANVAS_DRAGGING.mouseup&&(d.CANVAS_DRAGGING.prehandleEvent(e),d.CANVAS_DRAGGING.mouseup(e));d.CANVAS_DRAGGING=r});p(n).keydown(function(e){d.SHIFT=
e.shiftKey;d.ALT=e.altKey;d.META=e.metaKey||e.ctrlKey;let b=d.CANVAS_OVER;d.CANVAS_DRAGGING&&(b=d.CANVAS_DRAGGING);b&&b.keydown&&(b.prehandleEvent(e),b.keydown(e))});p(n).keypress(function(e){let b=d.CANVAS_OVER;d.CANVAS_DRAGGING&&(b=d.CANVAS_DRAGGING);b&&b.keypress&&(b.prehandleEvent(e),b.keypress(e))});p(n).keyup(function(e){d.SHIFT=e.shiftKey;d.ALT=e.altKey;d.META=e.metaKey||e.ctrlKey;let b=d.CANVAS_OVER;d.CANVAS_DRAGGING&&(b=d.CANVAS_DRAGGING);b&&b.keyup&&(b.prehandleEvent(e),b.keyup(e))})});
return d}(ChemDoodle.featureDetection,ChemDoodle.lib.jQuery,document);
(function(e,p,n,r,d,k,b,c,h,a,g){e._Canvas=function(){};let m=e._Canvas.prototype;m.molecules=g;m.shapes=g;m.emptyMessage=g;m.image=g;m.repaint=function(){if(!this.test){var a=c.getElementById(this.id);if(a.getContext){let b=a.getContext("2d");1!==this.pixelRatio&&a.width===this.width&&(a.width=this.width*this.pixelRatio,a.height=this.height*this.pixelRatio,b.scale(this.pixelRatio,this.pixelRatio));if(this.image)b.drawImage(this.image,0,0);else{let c=this.styles.backgroundColor?this.styles.backgroundColor:
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c;a++)this.molecules[a].check(!0),this.molecules[a].draw(b,this.styles);this.checksOnAction&&this.checksOnAction(!0);for(let a=0,c=this.shapes.length;a<c;a++)this.shapes[a].draw(b,this.styles);b.restore()}else this.emptyMessage&&(b.fillStyle="#737683",b.textAlign="center",b.textBaseline="middle",b.font="18px Helvetica, Verdana, Arial, Sans-serif",b.fillText(this.emptyMessage,this.width/2,this.height/2));this.drawChildExtras&&this.drawChildExtras(b,this.styles)}}};m.resize=function(a,b){let c=k("#"+
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function(){b.repaint()};this.image.src=a};m.loadMolecule=function(a){this.clear();this.molecules.push(a);for(let b=0;2>b;b++)this.center(),e._Canvas3D&&this instanceof e._Canvas3D||a.check(),this.afterLoadContent&&this.afterLoadContent(),this.repaint()};m.loadContent=function(a,b){this.molecules=a?a:[];this.shapes=b?b:[];for(a=0;2>a;a++){this.center();if(!(e._Canvas3D&&this instanceof e._Canvas3D))for(let a=0,b=this.molecules.length;a<b;a++)this.molecules[a].check();this.afterLoadContent&&this.afterLoadContent();
this.repaint()}};m.addMolecule=function(a){this.molecules.push(a);e._Canvas3D&&this instanceof e._Canvas3D||a.check();this.repaint()};m.removeMolecule=function(a){this.molecules=k.grep(this.molecules,function(b){return b!==a});this.repaint()};m.getMolecule=function(){return 0<this.molecules.length?this.molecules[0]:g};m.getMolecules=function(){return this.molecules};m.addShape=function(a){this.shapes.push(a);this.repaint()};m.removeShape=function(a){this.shapes=k.grep(this.shapes,function(b){return b!==
a});this.repaint()};m.getShapes=function(){return this.shapes};m.clear=function(){this.molecules=[];this.shapes=[];this.styles.scale=1;this.repaint()};m.center=function(){var a=this.getContentBounds(),c=new d.Point((this.width-a.minX-a.maxX)/2,(this.height-a.minY-a.maxY)/2);for(let a=0,b=this.molecules.length;a<b;a++){var e=this.molecules[a];for(let a=0,b=e.atoms.length;a<b;a++)e.atoms[a].add(c)}for(let a=0,b=this.shapes.length;a<b;a++){e=this.shapes[a].getPoints();for(let a=0,b=e.length;a<b;a++)e[a].add(c)}this.styles.scale=
1;c=a.maxX-a.minX;a=a.maxY-a.minY;if(c>this.width-20||a>this.height-20)this.styles.scale=.85*b.min(this.width/c,this.height/a)};m.bondExists=function(a,b){for(let c=0,d=this.molecules.length;c<d;c++){let d=this.molecules[c];for(let c=0,e=d.bonds.length;c<e;c++){let f=d.bonds[c];if(f.contains(a)&&f.contains(b))return!0}}return!1};m.getBond=function(a,b){for(let c=0,d=this.molecules.length;c<d;c++){let d=this.molecules[c];for(let c=0,e=d.bonds.length;c<e;c++){let f=d.bonds[c];if(f.contains(a)&&f.contains(b))return f}}return g};
m.getMoleculeByAtom=function(a){for(let b=0,c=this.molecules.length;b<c;b++){let c=this.molecules[b];if(-1!==c.atoms.indexOf(a))return c}return h.undefined};m.getAllAtoms=function(){let a=[];for(let b=0,c=this.molecules.length;b<c;b++)a=a.concat(this.molecules[b].atoms);return a};m.getAllBonds=function(){let a=[];for(let b=0,c=this.molecules.length;b<c;b++)a=a.concat(this.molecules[b].bonds);return a};m.getAllPoints=function(){let a=[];for(let b=0,c=this.molecules.length;b<c;b++)a=a.concat(this.molecules[b].atoms);
for(let b=0,c=this.shapes.length;b<c;b++)a=a.concat(this.shapes[b].getPoints());return a};m.getContentBounds=function(){let a=new n.Bounds;for(let b=0,c=this.molecules.length;b<c;b++)a.expand(this.molecules[b].getBounds());for(let b=0,c=this.shapes.length;b<c;b++)a.expand(this.shapes[b].getBounds());return a};m.create=function(m,l,n){this.id=m;this.width=l;this.height=n;this.molecules=[];this.shapes=[];if(c.getElementById(m)){let a=k("#"+m);l?a.attr("width",l):this.width=parseInt(a.attr("width"));
n?a.attr("height",n):this.height=parseInt(a.attr("height"));a.attr("class","ChemDoodleWebComponent")}else if(e.featureDetection.supports_canvas_text()||-1==a.indexOf("MSIE"))c.writeln('\x3ccanvas class\x3d"ChemDoodleWebComponent" id\x3d"'+m+'" width\x3d"'+l+'" height\x3d"'+n+'" alt\x3d"ChemDoodle Web Component"\x3eThis browser does not support HTML5/Canvas.\x3c/canvas\x3e');else{c.writeln('\x3cdiv style\x3d"border: 1px solid black;" width\x3d"'+l+'" height\x3d"'+n+'"\x3ePlease install \x3ca href\x3d"http://code.google.com/chrome/chromeframe/"\x3eGoogle Chrome Frame\x3c/a\x3e, then restart Internet Explorer.\x3c/div\x3e');
return}m=k("#"+m);m.css("width",this.width);m.css("height",this.height);this.pixelRatio=h.devicePixelRatio?h.devicePixelRatio:1;this.styles=new d.Styles;let u=this;p.supports_touch()?(m.bind("touchstart",function(a){let b=(new Date).getTime();if(!p.supports_gesture()&&2===a.originalEvent.touches.length){var c=a.originalEvent.touches;let b=new d.Point(c[0].pageX,c[0].pageY);c=new d.Point(c[1].pageX,c[1].pageY);u.implementedGestureDist=b.distance(c);u.implementedGestureAngle=b.angle(c);u.gesturestart&&
(u.prehandleEvent(a),u.gesturestart(a))}u.lastTouch&&1===a.originalEvent.touches.length&&500>b-u.lastTouch?u.dbltap?(u.prehandleEvent(a),u.dbltap(a)):u.dblclick?(u.prehandleEvent(a),u.dblclick(a)):u.touchstart?(u.prehandleEvent(a),u.touchstart(a)):u.mousedown&&(u.prehandleEvent(a),u.mousedown(a)):u.touchstart?(u.prehandleEvent(a),u.touchstart(a),this.hold&&clearTimeout(this.hold),this.touchhold&&(this.hold=setTimeout(function(){u.touchhold(a)},1E3))):u.mousedown&&(u.prehandleEvent(a),u.mousedown(a));
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(u.prehandleEvent(a),u.gestureend(a))})):(m.click(function(a){switch(a.which){case 1:u.click&&(u.prehandleEvent(a),u.click(a));break;case 2:u.middleclick&&(u.prehandleEvent(a),u.middleclick(a));break;case 3:u.rightclick&&(u.prehandleEvent(a),u.rightclick(a))}}),m.dblclick(function(a){u.dblclick&&(u.prehandleEvent(a),u.dblclick(a))}),m.mousedown(function(a){switch(a.which){case 1:r.CANVAS_DRAGGING=u;u.mousedown&&(u.prehandleEvent(a),u.mousedown(a));break;case 2:u.middlemousedown&&(u.prehandleEvent(a),
u.middlemousedown(a));break;case 3:u.rightmousedown&&(u.prehandleEvent(a),u.rightmousedown(a))}}),m.mousemove(function(a){!r.CANVAS_DRAGGING&&u.mousemove&&(u.prehandleEvent(a),u.mousemove(a))}),m.mouseout(function(a){r.CANVAS_OVER=g;u.mouseout&&(u.prehandleEvent(a),u.mouseout(a))}),m.mouseover(function(a){r.CANVAS_OVER=u;u.mouseover&&(u.prehandleEvent(a),u.mouseover(a))}),m.mouseup(function(a){switch(a.which){case 1:u.mouseup&&(u.prehandleEvent(a),u.mouseup(a));break;case 2:u.middlemouseup&&(u.prehandleEvent(a),
u.middlemouseup(a));break;case 3:u.rightmouseup&&(u.prehandleEvent(a),u.rightmouseup(a))}}),m.mousewheel(function(a,b){u.mousewheel&&(u.prehandleEvent(a),u.mousewheel(a,b))}));this.subCreate&&this.subCreate()};m.prehandleEvent=function(a){a.originalEvent.changedTouches&&(a.pageX=a.originalEvent.changedTouches[0].pageX,a.pageY=a.originalEvent.changedTouches[0].pageY);a.offset=k("#"+this.id).offset();a.p=new d.Point(a.pageX-a.offset.left,a.pageY-a.offset.top);this.doEventDefault||(a.preventDefault(),
a.returnValue=!1)}})(ChemDoodle,ChemDoodle.featureDetection,ChemDoodle.math,ChemDoodle.monitor,ChemDoodle.structures,ChemDoodle.lib.jQuery,Math,document,window,navigator.userAgent);
(function(e,p,n){e._AnimatorCanvas=function(e,d,k){e&&this.create(e,d,k)};e=e._AnimatorCanvas.prototype=new e._Canvas;e.timeout=33;e.startAnimation=function(){this.stopAnimation();this.lastTime=(new Date).getTime();let e=this;this.nextFrame&&(this.handle=p.requestInterval(function(){let d=(new Date).getTime();e.nextFrame(d-e.lastTime);e.repaint();e.lastTime=d},this.timeout))};e.stopAnimation=function(){this.handle&&(p.clearRequestInterval(this.handle),this.handle=n)};e.isRunning=function(){return this.handle!==
n}})(ChemDoodle,ChemDoodle.animations);
(function(e,p,n){e.FileCanvas=function(e,d,k,b){e&&this.create(e,d,k);p.writeln('\x3cbr\x3e\x3cform name\x3d"FileForm" enctype\x3d"multipart/form-data" method\x3d"POST" action\x3d"'+b+'" target\x3d"HiddenFileFrame"\x3e\x3cinput type\x3d"file" name\x3d"f" /\x3e\x3cinput type\x3d"submit" name\x3d"submitbutton" value\x3d"Show File" /\x3e\x3c/form\x3e\x3ciframe id\x3d"HFF-'+e+'" name\x3d"HiddenFileFrame" height\x3d"0" width\x3d"0" style\x3d"display:none;" onLoad\x3d"GetMolFromFrame(\'HFF-'+e+"', "+e+
')"\x3e\x3c/iframe\x3e');this.emptyMessage="Click below to load file";this.repaint()};e.FileCanvas.prototype=new e._Canvas})(ChemDoodle,document);
(function(e,p){e.HyperlinkCanvas=function(e,r,d,k,b,c){e&&this.create(e,r,d);this.urlOrFunction=k;this.color=b?b:"blue";this.size=c?c:2};e=e.HyperlinkCanvas.prototype=new e._Canvas;e.openInNewWindow=!0;e.hoverImage=p;e.drawChildExtras=function(e){this.e&&(this.hoverImage?e.drawImage(this.hoverImage,0,0):(e.strokeStyle=this.color,e.lineWidth=2*this.size,e.strokeRect(0,0,this.width,this.height)))};e.setHoverImage=function(e){this.hoverImage=new Image;this.hoverImage.src=e};e.click=function(e){this.e=
p;this.repaint();this.urlOrFunction instanceof Function?this.urlOrFunction():this.openInNewWindow?window.open(this.urlOrFunction):location.href=this.urlOrFunction};e.mouseout=function(e){this.e=p;this.repaint()};e.mouseover=function(e){this.e=e;this.repaint()}})(ChemDoodle);
(function(e,p,n,r,d){e.MolGrabberCanvas=function(d,b,c){d&&this.create(d,b,c);b=[];b.push('\x3cbr\x3e\x3cinput type\x3d"text" id\x3d"');b.push(d);b.push('_query" size\x3d"32" value\x3d"" /\x3e');b.push(this.getInputFields());r.getElementById(d);n("#"+d).after(b.join(""));let e=this;n("#"+d+"_submit").click(function(){e.search()});n("#"+d+"_query").keypress(function(a){13===a.which&&e.search()});this.emptyMessage="Enter search term below";this.repaint()};e=e.MolGrabberCanvas.prototype=new e._Canvas;
e.setSearchTerm=function(d){n("#"+this.id+"_query").val(d);this.search()};e.getInputFields=function(){let d=[];d.push("\x3cbr\x3e\x3cnobr\x3e");d.push('\x3cselect id\x3d"');d.push(this.id);d.push('_select"\x3e');d.push('\x3coption value\x3d"chemexper"\x3eChemExper');d.push('\x3coption value\x3d"chemspider"\x3eChemSpider');d.push('\x3coption value\x3d"pubchem" selected\x3ePubChem');d.push("\x3c/select\x3e");d.push('\x3cbutton type\x3d"button" id\x3d"');d.push(this.id);d.push('_submit"\x3eShow Molecule\x3c/button\x3e');
d.push("\x3c/nobr\x3e");return d.join("")};e.search=function(){this.emptyMessage="Searching...";this.clear();let d=this;p.getMoleculeFromDatabase(n("#"+this.id+"_query").val(),{database:n("#"+this.id+"_select").val()},function(b){d.loadMolecule(b)})}})(ChemDoodle,ChemDoodle.iChemLabs,ChemDoodle.lib.jQuery,document);
(function(e,p,n,r){let d=[],k=[1,0,0],b=[0,1,0],c=[0,0,1];e.RotatorCanvas=function(b,a,c,d){b&&this.create(b,a,c);this.rotate3D=d};e=e.RotatorCanvas.prototype=new e._AnimatorCanvas;p=p.PI/15;e.xIncrement=p;e.yIncrement=p;e.zIncrement=p;e.nextFrame=function(e){if(0===this.molecules.length&&0===this.shapes.length)this.stopAnimation();else if(e/=1E3,this.rotate3D){n.identity(d);n.rotate(d,this.xIncrement*e,k);n.rotate(d,this.yIncrement*e,b);n.rotate(d,this.zIncrement*e,c);for(let b=0,c=this.molecules.length;b<
c;b++){e=this.molecules[b];for(let b=0,c=e.atoms.length;b<c;b++){var a=e.atoms[b],g=[a.x-this.width/2,a.y-this.height/2,a.z];n.multiplyVec3(d,g);a.x=g[0]+this.width/2;a.y=g[1]+this.height/2;a.z=g[2]}for(let a=0,b=e.rings.length;a<b;a++)e.rings[a].center=e.rings[a].getCenter();this.styles.atoms_display&&this.styles.atoms_circles_2D&&e.sortAtomsByZ();this.styles.bonds_display&&this.styles.bonds_clearOverlaps_2D&&e.sortBondsByZ()}for(let b=0,c=this.shapes.length;b<c;b++){e=this.shapes[b].getPoints();
for(let b=0,c=e.length;b<c;b++)a=e[b],g=[a.x-this.width/2,a.y-this.height/2,0],n.multiplyVec3(d,g),a.x=g[0]+this.width/2,a.y=g[1]+this.height/2}}else this.styles.rotateAngle+=this.zIncrement*e};e.dblclick=function(b){this.isRunning()?this.stopAnimation():this.startAnimation()}})(ChemDoodle,Math,ChemDoodle.lib.mat4);
(function(e,p,n,r){e.SlideshowCanvas=function(d,e,b){d&&this.create(d,e,b)};e=e.SlideshowCanvas.prototype=new e._AnimatorCanvas;e.frames=[];e.curIndex=0;e.timeout=5E3;e.alpha=0;e.innerHandle=r;e.phase=0;e.drawChildExtras=function(d){let e=n.getRGB(this.styles.backgroundColor,255);d.fillStyle="rgba("+e[0]+", "+e[1]+", "+e[2]+", "+this.alpha+")";d.fillRect(0,0,this.width,this.height)};e.nextFrame=function(d){if(0===this.frames.length)this.stopAnimation();else{this.phase=0;var e=this,b=1;this.innerHandle=
setInterval(function(){e.alpha=b/15;e.repaint();15===b&&e.breakInnerHandle();b++},33)}};e.breakInnerHandle=function(){this.innerHandle&&(clearInterval(this.innerHandle),this.innerHandle=r);if(0===this.phase){this.curIndex++;this.curIndex>this.frames.length-1&&(this.curIndex=0);this.alpha=1;let d=this.frames[this.curIndex];this.loadContent(d.mols,d.shapes);this.phase=1;let e=this,b=1;this.innerHandle=setInterval(function(){e.alpha=(15-b)/15;e.repaint();15===b&&e.breakInnerHandle();b++},33)}else 1===
this.phase&&(this.alpha=0,this.repaint())};e.addFrame=function(d,e){0===this.frames.length&&this.loadContent(d,e);this.frames.push({mols:d,shapes:e})}})(ChemDoodle,ChemDoodle.animations,ChemDoodle.math);
(function(e,p,n,r,d,k){e.TransformCanvas=function(b,c,d,a){b&&this.create(b,c,d);this.rotate3D=a};e=e.TransformCanvas.prototype=new e._Canvas;e.lastPoint=k;e.rotationMultMod=1.3;e.lastPinchScale=1;e.lastGestureRotate=0;e.mousedown=function(b){this.lastPoint=b.p};e.dblclick=function(b){this.center();this.repaint()};e.drag=function(b){if(!this.lastPoint.multi){if(p.ALT){var c=new n.Point(b.p.x,b.p.y);c.sub(this.lastPoint);for(let a=0,b=this.molecules.length;a<b;a++){var e=this.molecules[a];for(let a=
0,b=e.atoms.length;a<b;a++)e.atoms[a].add(c);e.check()}for(let a=0,b=this.shapes.length;a<b;a++){e=this.shapes[a].getPoints();for(let a=0,b=e.length;a<b;a++)e[a].add(c)}this.lastPoint=b.p}else if(!0===this.rotate3D){c=r.max(this.width/4,this.height/4);e=(b.p.x-this.lastPoint.x)/c*this.rotationMultMod;var a=-(b.p.y-this.lastPoint.y)/c*this.rotationMultMod;c=[];d.identity(c);d.rotate(c,a,[1,0,0]);d.rotate(c,e,[0,1,0]);for(let g=0,h=this.molecules.length;g<h;g++){e=this.molecules[g];for(let b=0,g=e.atoms.length;b<
g;b++){a=e.atoms[b];let g=[a.x-this.width/2,a.y-this.height/2,a.z];d.multiplyVec3(c,g);a.x=g[0]+this.width/2;a.y=g[1]+this.height/2;a.z=g[2]}for(let a=0,b=e.rings.length;a<b;a++)e.rings[a].center=e.rings[a].getCenter();this.lastPoint=b.p;this.styles.atoms_display&&this.styles.atoms_circles_2D&&e.sortAtomsByZ();this.styles.bonds_display&&this.styles.bonds_clearOverlaps_2D&&e.sortBondsByZ()}}else e=new n.Point(this.width/2,this.height/2),c=e.angle(this.lastPoint),e=e.angle(b.p),this.styles.rotateAngle-=
e-c,this.lastPoint=b.p;this.repaint()}};e.mousewheel=function(b,c){this.styles.scale+=c/50;.01>this.styles.scale&&(this.styles.scale=.01);this.repaint()};e.multitouchmove=function(b,c){if(2===c)if(this.lastPoint.multi){c=new n.Point(b.p.x,b.p.y);c.sub(this.lastPoint);for(let a=0,b=this.molecules.length;a<b;a++){var d=this.molecules[a];for(let a=0,b=d.atoms.length;a<b;a++)d.atoms[a].add(c);d.check()}for(let a=0,b=this.shapes.length;a<b;a++){d=this.shapes[a].getPoints();for(let a=0,b=d.length;a<b;a++)d[a].add(c)}this.lastPoint=
b.p;this.lastPoint.multi=!0;this.repaint()}else this.lastPoint=b.p,this.lastPoint.multi=!0};e.gesturechange=function(b){0!==b.originalEvent.scale-this.lastPinchScale&&(this.styles.scale*=b.originalEvent.scale/this.lastPinchScale,.01>this.styles.scale&&(this.styles.scale=.01),this.lastPinchScale=b.originalEvent.scale);if(0!==this.lastGestureRotate-b.originalEvent.rotation){let c=(this.lastGestureRotate-b.originalEvent.rotation)/180*r.PI,d=new n.Point(this.width/2,this.height/2);for(let a=0,b=this.molecules.length;a<
b;a++){let b=this.molecules[a];for(let a=0,e=b.atoms.length;a<e;a++){let e=b.atoms[a],g=d.distance(e),h=d.angle(e)+c;e.x=d.x+g*r.cos(h);e.y=d.y-g*r.sin(h)}b.check()}this.lastGestureRotate=b.originalEvent.rotation}this.repaint()};e.gestureend=function(b){this.lastPinchScale=1;this.lastGestureRotate=0}})(ChemDoodle,ChemDoodle.monitor,ChemDoodle.structures,Math,ChemDoodle.lib.mat4);(function(e,p){e.ViewerCanvas=function(e,r,d){e&&this.create(e,r,d)};e.ViewerCanvas.prototype=new e._Canvas})(ChemDoodle);
(function(e,p,n){e._SpectrumCanvas=function(e,d,k){e&&this.create(e,d,k)};e=e._SpectrumCanvas.prototype=new e._Canvas;e.spectrum=n;e.emptyMessage="No Spectrum Loaded or Recognized";e.loadMolecule=n;e.getMolecule=n;e.innerRepaint=function(e){this.spectrum&&0<this.spectrum.data.length?this.spectrum.draw(e,this.styles,this.width,this.height):this.emptyMessage&&(e.fillStyle="#737683",e.textAlign="center",e.textBaseline="middle",e.font="18px Helvetica, Verdana, Arial, Sans-serif",e.fillText(this.emptyMessage,
this.width/2,this.height/2))};e.loadSpectrum=function(e){this.spectrum=e;this.repaint()};e.getSpectrum=function(){return this.spectrum};e.getSpectrumCoordinates=function(e,d){return spectrum.getInternalCoordinates(e,d,this.width,this.height)}})(ChemDoodle,document);(function(e,p){e.ObserverCanvas=function(e,p,d){e&&this.create(e,p,d)};e.ObserverCanvas.prototype=new e._SpectrumCanvas})(ChemDoodle);
(function(e,p){e.OverlayCanvas=function(e,p,d){e&&this.create(e,p,d)};e=e.OverlayCanvas.prototype=new e._SpectrumCanvas;e.overlaySpectra=[];e.superRepaint=e.innerRepaint;e.innerRepaint=function(e){this.superRepaint(e);if(this.spectrum&&0<this.spectrum.data.length)for(let n=0,d=this.overlaySpectra.length;n<d;n++){let d=this.overlaySpectra[n];d&&0<d.data.length&&(d.minX=this.spectrum.minX,d.maxX=this.spectrum.maxX,d.drawPlot(e,this.styles,this.width,this.height,this.spectrum.memory.offsetTop,this.spectrum.memory.offsetLeft,
this.spectrum.memory.offsetBottom))}};e.addSpectrum=function(e){this.spectrum?this.overlaySpectra.push(e):this.spectrum=e}})(ChemDoodle);
(function(e,p,n,r){e.PerspectiveCanvas=function(d,b,c){d&&this.create(d,b,c)};let d=e.PerspectiveCanvas.prototype=new e._SpectrumCanvas;d.dragRange=r;d.rescaleYAxisOnZoom=!0;d.lastPinchScale=1;d.mousedown=function(d){this.dragRange=new e.structures.Point(d.p.x,d.p.x)};d.mouseup=function(d){this.dragRange&&this.dragRange.x!==this.dragRange.y&&(this.dragRange.multi||(d=this.spectrum.zoom(this.dragRange.x,d.p.x,this.width,this.rescaleYAxisOnZoom),this.rescaleYAxisOnZoom&&(this.styles.scale=d)),this.dragRange=
r,this.repaint())};d.drag=function(d){this.dragRange&&(this.dragRange.multi?this.dragRange=r:(p.SHIFT&&(this.spectrum.translate(d.p.x-this.dragRange.x,this.width),this.dragRange.x=d.p.x),this.dragRange.y=d.p.x),this.repaint())};d.drawChildExtras=function(d){if(this.dragRange){var b=n.min(this.dragRange.x,this.dragRange.y);let c=n.max(this.dragRange.x,this.dragRange.y);d.strokeStyle="gray";d.lineStyle=1;d.beginPath();for(d.moveTo(b,this.height/2);b<=c;b++)5>b%10?d.lineTo(b,n.round(this.height/2)):
d.moveTo(b,n.round(this.height/2));d.stroke()}};d.mousewheel=function(d,b){this.styles.scale-=b/10;.01>this.styles.scale&&(this.styles.scale=.01);this.repaint()};d.dblclick=function(d){this.spectrum.setup();this.styles.scale=1;this.repaint()};d.multitouchmove=function(d,b){2===b&&(this.dragRange&&this.dragRange.multi?(this.spectrum.translate(d.p.x-this.dragRange.x,this.width),this.dragRange.x=d.p.x,this.dragRange.y=d.p.x,this.repaint()):(this.dragRange=new e.structures.Point(d.p.x,d.p.x),this.dragRange.multi=
!0))};d.gesturechange=function(d){this.styles.scale*=d.originalEvent.scale/this.lastPinchScale;.01>this.styles.scale&&(this.styles.scale=.01);this.lastPinchScale=d.originalEvent.scale;this.repaint()};d.gestureend=function(d){this.lastPinchScale=1}})(ChemDoodle,ChemDoodle.monitor,Math);
(function(e,p,n,r){e.SeekerCanvas=function(d,b,c,e){d&&this.create(d,b,c);this.seekType=e};let d=e.SeekerCanvas.prototype=new e._SpectrumCanvas;d.superRepaint=d.innerRepaint;d.innerRepaint=function(d){this.superRepaint(d);if(this.spectrum&&0<this.spectrum.data.length&&this.p){if(this.seekType===e.SeekerCanvas.SEEK_POINTER){var b=this.p;var c=this.spectrum.getInternalCoordinates(b.x,b.y)}else if(this.seekType===e.SeekerCanvas.SEEK_PLOT||this.seekType===e.SeekerCanvas.SEEK_PEAK){c=this.seekType===e.SeekerCanvas.SEEK_PLOT?
this.spectrum.getClosestPlotInternalCoordinates(this.p.x):this.spectrum.getClosestPeakInternalCoordinates(this.p.x);if(!c)return;b={x:this.spectrum.getTransformedX(c.x,this.styles,this.width,this.spectrum.memory.offsetLeft),y:this.spectrum.getTransformedY(c.y/100,this.styles,this.height,this.spectrum.memory.offsetBottom,this.spectrum.memory.offsetTop)}}d.fillStyle="white";d.strokeStyle=this.styles.plots_color;d.lineWidth=this.styles.plots_width;d.beginPath();d.arc(b.x,b.y,3,0,2*n.PI,!1);d.fill();
d.stroke();d.font=p.getFontString(this.styles.text_font_size,this.styles.text_font_families);d.textAlign="left";d.textBaseline="bottom";c="x:"+c.x.toFixed(3)+", y:"+c.y.toFixed(3);let h=b.x+3,a=d.measureText(c).width;h+a>this.width-2&&(h-=6+a);b=b.y;0>b-this.styles.text_font_size-2&&(b+=this.styles.text_font_size);d.fillRect(h,b-this.styles.text_font_size,a,this.styles.text_font_size);d.fillStyle="black";d.fillText(c,h,b)}};d.mouseout=function(d){this.p=r;this.repaint()};d.mousemove=function(d){this.p=
{x:d.p.x-2,y:d.p.y-3};this.repaint()};d.touchstart=function(d){this.mousemove(d)};d.touchmove=function(d){this.mousemove(d)};d.touchend=function(d){this.mouseout(d)};e.SeekerCanvas.SEEK_POINTER="pointer";e.SeekerCanvas.SEEK_PLOT="plot";e.SeekerCanvas.SEEK_PEAK="peak"})(ChemDoodle,ChemDoodle.extensions,Math);
(function(e,p,n,r,d,k,b,c,h,a,g,m,v,l){e._Canvas3D=function(a,b,c){a&&this.create(a,b,c)};e._Canvas3D.PRESERVE_DRAWING_BUFFER=!1;a=e._Canvas3D.prototype=new e._Canvas;let x=e._Canvas.prototype;a.rotationMatrix=l;a.contentCenter=l;a.lastPoint=l;a.emptyMessage="WebGL is Unavailable!";a.lastPinchScale=1;a.lastGestureRotate=0;a.afterLoadContent=function(){var a=new n.Bounds;for(let b=0,c=this.molecules.length;b<c;b++)a.expand(this.molecules[b].getBounds3D());var c=g.dist([a.maxX,a.maxY,a.maxZ],[a.minX,
a.minY,a.minZ])/2+1.5;Infinity===c&&(c=10);this.maxDimension=b.max(a.maxX-a.minX,a.maxY-a.minY);a=b.min(179.9,b.max(this.styles.projectionPerspectiveVerticalFieldOfView_3D,.1));var d=a/360*b.PI,e=b.tan(d)/.8;e=c/e;let f=this.width/this.height;this.camera.fieldOfView=a;this.camera.near=e-c;this.camera.far=e+c;this.camera.aspect=f;h.translate(h.identity(this.camera.viewMatrix),[0,0,-e]);d=c/b.tan(d);this.lighting.camera.fieldOfView=a;this.lighting.camera.near=d-c;this.lighting.camera.far=d+c;this.lighting.updateView();
this.setupScene()};a.renderDepthMap=function(){if(this.styles.shadow_3D&&d.DepthShader){let a=this.gl.isEnabled(this.gl.CULL_FACE);a||this.gl.enable(this.gl.CULL_FACE);this.depthShader.useShaderProgram(this.gl);let b=this.gl.getParameter(this.gl.COLOR_CLEAR_VALUE);this.gl.clearColor(1,1,1,0);this.lightDepthMapFramebuffer.bind(this.gl,this.shadowTextureSize,this.shadowTextureSize);this.gl.clear(this.gl.COLOR_BUFFER_BIT|this.gl.DEPTH_BUFFER_BIT);this.depthShader.setProjectionMatrix(this.gl,this.lighting.camera.projectionMatrix);
this.depthShader.enableAttribsArray(this.gl);for(let a=0,b=this.molecules.length;a<b;a++)this.molecules[a].render(this.gl,this.styles);this.gl.flush();this.depthShader.disableAttribsArray(this.gl);this.gl.bindFramebuffer(this.gl.FRAMEBUFFER,null);this.gl.clearColor(b[0],b[1],b[2],b[3]);a||this.gl.disable(this.gl.CULL_FACE)}};a.renderExtras=function(){this.phongShader.useShaderProgram(this.gl);this.phongShader.enableAttribsArray(this.gl);var a=[];for(let b=0,c=this.shapes.length;b<c;b++){let c=this.shapes[b];
c instanceof d._Surface&&(!c.styles&&1!==this.styles.surfaces_alpha||c.styles&&1!==c.styles.surfaces_alpha)?a.push(c):c.render(this.gl,this.styles)}if(0!==a.length){this.gl.blendFunc(this.gl.SRC_ALPHA,this.gl.ONE_MINUS_SRC_ALPHA);this.gl.enable(this.gl.BLEND);this.gl.depthMask(!1);for(let b=0,c=a.length;b<c;b++)a[b].render(this.gl,this.styles);this.gl.depthMask(!0);this.gl.disable(this.gl.BLEND);this.gl.blendFuncSeparate(this.gl.SRC_ALPHA,this.gl.ONE_MINUS_SRC_ALPHA,this.gl.ONE,this.gl.ONE_MINUS_SRC_ALPHA)}this.phongShader.setShadow(this.gl,
!1);this.phongShader.setFogMode(this.gl,0);this.phongShader.setFlatColor(this.gl,!1);this.styles.compass_display&&(this.phongShader.setLightDirection(this.gl,[0,0,-1]),this.compass.render(this.gl,this.styles));this.phongShader.disableAttribsArray(this.gl);this.gl.flush();this.gl.enable(this.gl.BLEND);this.gl.depthMask(!1);this.labelShader.useShaderProgram(this.gl);this.labelShader.setMatrixUniforms(this.gl,this.gl.modelViewMatrix);this.labelShader.setProjectionMatrix(this.gl,this.camera.projectionMatrix);
this.labelShader.setDimension(this.gl,this.gl.canvas.clientWidth,this.gl.canvas.clientHeight);this.labelShader.enableAttribsArray(this.gl);this.styles.atoms_displayLabels_3D&&this.label3D.render(this.gl,this.styles,this.getMolecules());if(this.styles.measurement_displayText_3D)for(let b=0,c=this.shapes.length;b<c;b++)a=this.shapes[b],a.renderText&&a.renderText(this.gl,this.styles);this.styles.compass_display&&this.styles.compass_displayText_3D&&this.compass.renderAxis(this.gl);this.labelShader.disableAttribsArray(this.gl);
this.gl.disable(this.gl.BLEND);this.gl.depthMask(!0);this.gl.flush();this.drawChildExtras&&this.drawChildExtras(this.gl);this.gl.flush()};a.renderColor=function(){this.phongShader.useShaderProgram(this.gl);this.gl.uniform1i(this.phongShader.shadowDepthSampleUniform,0);this.gl.activeTexture(this.gl.TEXTURE0);this.gl.bindTexture(this.gl.TEXTURE_2D,this.lightDepthMapTexture.texture);this.phongShader.setProjectionMatrix(this.gl,this.camera.projectionMatrix);this.phongShader.setShadow(this.gl,this.styles.shadow_3D);
this.phongShader.setFlatColor(this.gl,this.styles.flat_color_3D);this.phongShader.setGammaCorrection(this.gl,this.styles.gammaCorrection_3D);this.phongShader.setShadowTextureSize(this.gl,this.shadowTextureSize,this.shadowTextureSize);this.phongShader.setShadowIntensity(this.gl,this.styles.shadow_intensity_3D);this.phongShader.setFogMode(this.gl,this.styles.fog_mode_3D);this.phongShader.setFogColor(this.gl,this.fogging.colorRGB);this.phongShader.setFogStart(this.gl,this.fogging.fogStart);this.phongShader.setFogEnd(this.gl,
this.fogging.fogEnd);this.phongShader.setFogDensity(this.gl,this.fogging.density);this.phongShader.setLightProjectionMatrix(this.gl,this.lighting.camera.projectionMatrix);this.phongShader.setLightDiffuseColor(this.gl,this.lighting.diffuseRGB);this.phongShader.setLightSpecularColor(this.gl,this.lighting.specularRGB);this.phongShader.setLightDirection(this.gl,this.lighting.direction);this.phongShader.enableAttribsArray(this.gl);for(let a=0,b=this.molecules.length;a<b;a++)this.molecules[a].render(this.gl,
this.styles);this.phongShader.disableAttribsArray(this.gl);this.gl.flush()};a.renderPosition=function(){this.positionShader.useShaderProgram(this.gl);this.positionShader.setProjectionMatrix(this.gl,this.camera.projectionMatrix);this.positionShader.enableAttribsArray(this.gl);for(let a=0,b=this.molecules.length;a<b;a++)this.molecules[a].render(this.gl,this.styles);this.positionShader.disableAttribsArray(this.gl);this.gl.flush()};a.renderNormal=function(){this.normalShader.useShaderProgram(this.gl);
this.normalShader.setProjectionMatrix(this.gl,this.camera.projectionMatrix);this.normalShader.enableAttribsArray(this.gl);for(let a=0,b=this.molecules.length;a<b;a++)this.molecules[a].render(this.gl,this.styles);this.normalShader.disableAttribsArray(this.gl);this.gl.flush()};a.renderSSAO=function(){this.ssaoShader.useShaderProgram(this.gl);this.ssaoShader.setProjectionMatrix(this.gl,this.camera.projectionMatrix);this.ssaoShader.setSampleKernel(this.gl,this.ssao.sampleKernel);this.ssaoShader.setKernelRadius(this.gl,
this.styles.ssao_kernel_radius);this.ssaoShader.setPower(this.gl,this.styles.ssao_power);this.ssaoShader.setGbufferTextureSize(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight);this.gl.uniform1i(this.ssaoShader.positionSampleUniform,0);this.gl.uniform1i(this.ssaoShader.normalSampleUniform,1);this.gl.uniform1i(this.ssaoShader.noiseSampleUniform,2);this.gl.activeTexture(this.gl.TEXTURE0);this.gl.bindTexture(this.gl.TEXTURE_2D,this.positionTexture.texture);this.gl.activeTexture(this.gl.TEXTURE1);
this.gl.bindTexture(this.gl.TEXTURE_2D,this.normalTexture.texture);this.gl.activeTexture(this.gl.TEXTURE2);this.gl.bindTexture(this.gl.TEXTURE_2D,this.ssao.noiseTexture);this.gl.activeTexture(this.gl.TEXTURE0);this.ssaoShader.enableAttribsArray(this.gl);this.gl.quadBuffer.bindBuffers(this.gl);this.gl.drawArrays(this.gl.TRIANGLE_STRIP,0,this.gl.quadBuffer.vertexPositionBuffer.numItems);this.ssaoShader.disableAttribsArray(this.gl);this.gl.flush();this.ssaoFramebuffer.bind(this.gl,this.gl.drawingBufferWidth,
this.gl.drawingBufferHeight);this.gl.clear(this.gl.COLOR_BUFFER_BIT);this.ssaoBlurShader.useShaderProgram(this.gl);this.ssaoBlurShader.setGbufferTextureSize(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight);this.gl.uniform1i(this.ssaoBlurShader.aoSampleUniform,0);this.gl.uniform1i(this.ssaoBlurShader.depthSampleUniform,1);this.gl.activeTexture(this.gl.TEXTURE0);this.gl.bindTexture(this.gl.TEXTURE_2D,this.imageTexture.texture);this.gl.activeTexture(this.gl.TEXTURE1);this.gl.bindTexture(this.gl.TEXTURE_2D,
this.depthTexture.texture);this.gl.activeTexture(this.gl.TEXTURE0);this.ssaoBlurShader.enableAttribsArray(this.gl);this.gl.quadBuffer.bindBuffers(this.gl);this.gl.drawArrays(this.gl.TRIANGLE_STRIP,0,this.gl.quadBuffer.vertexPositionBuffer.numItems);this.ssaoBlurShader.disableAttribsArray(this.gl);this.gl.activeTexture(this.gl.TEXTURE0);this.gl.flush()};a.renderOutline=function(){this.outlineShader.useShaderProgram(this.gl);this.outlineShader.setGbufferTextureSize(this.gl,this.gl.drawingBufferWidth,
this.gl.drawingBufferHeight);this.outlineShader.setNormalThreshold(this.gl,this.styles.outline_normal_threshold);this.outlineShader.setDepthThreshold(this.gl,this.styles.outline_depth_threshold);this.outlineShader.setThickness(this.gl,this.styles.outline_thickness);this.gl.uniform1i(this.outlineShader.normalSampleUniform,0);this.gl.uniform1i(this.outlineShader.depthSampleUniform,1);this.gl.activeTexture(this.gl.TEXTURE0);this.gl.bindTexture(this.gl.TEXTURE_2D,this.normalTexture.texture);this.gl.activeTexture(this.gl.TEXTURE1);
this.gl.bindTexture(this.gl.TEXTURE_2D,this.depthTexture.texture);this.gl.activeTexture(this.gl.TEXTURE0);this.outlineShader.enableAttribsArray(this.gl);this.gl.quadBuffer.bindBuffers(this.gl);this.gl.drawArrays(this.gl.TRIANGLE_STRIP,0,this.gl.quadBuffer.vertexPositionBuffer.numItems);this.outlineShader.disableAttribsArray(this.gl);this.gl.flush()};a.deferredRender=function(){let a=this.gl.getParameter(this.gl.COLOR_CLEAR_VALUE);this.gl.clearColor(0,0,0,0);this.colorFramebuffer.bind(this.gl,this.gl.drawingBufferWidth,
this.gl.drawingBufferHeight);this.gl.clear(this.gl.COLOR_BUFFER_BIT|this.gl.DEPTH_BUFFER_BIT);this.renderColor();this.positionFramebuffer.bind(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight);this.gl.clear(this.gl.COLOR_BUFFER_BIT|this.gl.DEPTH_BUFFER_BIT);this.renderPosition();this.normalFramebuffer.bind(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight);this.gl.clear(this.gl.COLOR_BUFFER_BIT|this.gl.DEPTH_BUFFER_BIT);this.renderNormal();this.styles.ssao_3D&&d.SSAOShader?
(this.quadFramebuffer.bind(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight),this.gl.clear(this.gl.COLOR_BUFFER_BIT),this.renderSSAO()):(this.ssaoFramebuffer.bind(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight),this.gl.clearColor(1,1,1,1),this.gl.clear(this.gl.COLOR_BUFFER_BIT));this.outlineFramebuffer.bind(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight);this.gl.clearColor(1,1,1,1);this.gl.clear(this.gl.COLOR_BUFFER_BIT);this.styles.outline_3D&&this.renderOutline();
this.gl.clearColor(a[0],a[1],a[2],a[3]);this.quadFramebuffer.bind(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight);this.gl.clear(this.gl.COLOR_BUFFER_BIT);this.lightingShader.useShaderProgram(this.gl);this.gl.uniform1i(this.lightingShader.positionSampleUniform,0);this.gl.uniform1i(this.lightingShader.colorSampleUniform,1);this.gl.uniform1i(this.lightingShader.ssaoSampleUniform,2);this.gl.uniform1i(this.lightingShader.outlineSampleUniform,3);this.gl.activeTexture(this.gl.TEXTURE0);this.gl.bindTexture(this.gl.TEXTURE_2D,
this.positionTexture.texture);this.gl.activeTexture(this.gl.TEXTURE1);this.gl.bindTexture(this.gl.TEXTURE_2D,this.colorTexture.texture);this.gl.activeTexture(this.gl.TEXTURE2);this.gl.bindTexture(this.gl.TEXTURE_2D,this.ssaoTexture.texture);this.gl.activeTexture(this.gl.TEXTURE3);this.gl.bindTexture(this.gl.TEXTURE_2D,this.outlineTexture.texture);this.gl.activeTexture(this.gl.TEXTURE0);this.lightingShader.enableAttribsArray(this.gl);this.gl.quadBuffer.bindBuffers(this.gl);this.gl.drawArrays(this.gl.TRIANGLE_STRIP,
0,this.gl.quadBuffer.vertexPositionBuffer.numItems);this.lightingShader.disableAttribsArray(this.gl);this.gl.flush();this.fxaaFramebuffer.bind(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight);this.gl.clear(this.gl.COLOR_BUFFER_BIT|this.gl.DEPTH_BUFFER_BIT);this.gl.viewport(0,0,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight);this.gl.bindTexture(this.gl.TEXTURE_2D,this.imageTexture.texture);this.fxaaShader.useShaderProgram(this.gl);this.fxaaShader.setBuffersize(this.gl,this.gl.drawingBufferWidth,
this.gl.drawingBufferHeight);this.fxaaShader.setAntialias(this.gl,this.styles.antialias_3D);this.fxaaShader.setEdgeThreshold(this.gl,this.styles.fxaa_edgeThreshold);this.fxaaShader.setEdgeThresholdMin(this.gl,this.styles.fxaa_edgeThresholdMin);this.fxaaShader.setSearchSteps(this.gl,this.styles.fxaa_searchSteps);this.fxaaShader.setSearchThreshold(this.gl,this.styles.fxaa_searchThreshold);this.fxaaShader.setSubpixCap(this.gl,this.styles.fxaa_subpixCap);this.fxaaShader.setSubpixTrim(this.gl,this.styles.fxaa_subpixTrim);
this.fxaaShader.enableAttribsArray(this.gl);this.gl.quadBuffer.bindBuffers(this.gl);this.gl.drawArrays(this.gl.TRIANGLE_STRIP,0,this.gl.quadBuffer.vertexPositionBuffer.numItems);this.fxaaShader.disableAttribsArray(this.gl);this.gl.flush();this.finalFramebuffer.bind(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight);this.renderExtras();this.gl.clearColor(a[0],a[1],a[2],a[3]);this.gl.bindFramebuffer(this.gl.FRAMEBUFFER,null);this.gl.clear(this.gl.COLOR_BUFFER_BIT|this.gl.DEPTH_BUFFER_BIT);
this.gl.viewport(0,0,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight);this.gl.bindTexture(this.gl.TEXTURE_2D,this.fxaaTexture.texture);this.quadShader.useShaderProgram(this.gl);this.quadShader.enableAttribsArray(this.gl);this.gl.quadBuffer.bindBuffers(this.gl);this.gl.drawArrays(this.gl.TRIANGLE_STRIP,0,this.gl.quadBuffer.vertexPositionBuffer.numItems);this.quadShader.disableAttribsArray(this.gl);this.gl.flush()};a.forwardRender=function(){this.gl.bindFramebuffer(this.gl.FRAMEBUFFER,null);
this.gl.clear(this.gl.COLOR_BUFFER_BIT|this.gl.DEPTH_BUFFER_BIT);this.gl.viewport(0,0,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight);this.renderColor();this.renderExtras()};a.repaint=function(){this.gl&&(this.gl.lightViewMatrix=h.multiply(this.lighting.camera.viewMatrix,this.rotationMatrix,[]),this.gl.rotationMatrix=this.rotationMatrix,this.gl.modelViewMatrix=this.gl.lightViewMatrix,this.renderDepthMap(),this.gl.modelViewMatrix=h.multiply(this.camera.viewMatrix,this.rotationMatrix,[]),h.translate(this.gl.modelViewMatrix,
this.contentCenter),this.isSupportDeferred()&&(this.styles.ssao_3D||this.styles.outline_3D)?this.deferredRender():this.forwardRender())};a.pick=function(a,b,c,d){if(this.gl){let e=this.height-b;1!==this.pixelRatio&&(a*=this.pixelRatio,e*=this.pixelRatio);h.multiply(this.camera.viewMatrix,this.rotationMatrix,this.gl.modelViewMatrix);h.translate(this.gl.modelViewMatrix,this.contentCenter);this.gl.rotationMatrix=this.rotationMatrix;this.pickShader.useShaderProgram(this.gl);b=this.gl.getParameter(this.gl.COLOR_CLEAR_VALUE);
this.gl.clearColor(1,1,1,0);this.pickerFramebuffer.bind(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight);this.gl.clear(this.gl.COLOR_BUFFER_BIT|this.gl.DEPTH_BUFFER_BIT);this.pickShader.setProjectionMatrix(this.gl,this.camera.projectionMatrix);this.pickShader.enableAttribsArray(this.gl);let g=[];for(let a=0,b=this.molecules.length;a<b;a++)this.molecules[a].renderPickFrame(this.gl,this.styles,g,c,d);this.pickShader.disableAttribsArray(this.gl);this.gl.flush();c=new Uint8Array(4);this.gl.readPixels(a-
2,e+2,1,1,this.gl.RGBA,this.gl.UNSIGNED_BYTE,c);d=l;0<c[3]&&(d=g[c[2]|c[1]<<8|c[0]<<16]);this.gl.bindFramebuffer(this.gl.FRAMEBUFFER,null);this.gl.clearColor(b[0],b[1],b[2],b[3]);return d}return l};a.center=function(){let a=new r.Atom,b=this.molecules.length;for(let c=0,d=b;c<d;c++)a.add3D(this.molecules[c].getCenter3D());a.x/=b;a.y/=b;a.z/=b;this.contentCenter=[-a.x,-a.y,-a.z]};a.isSupportDeferred=function(){return this.gl.textureFloatExt&&this.gl.depthTextureExt};a.create=function(a,b,g){x.create.call(this,
a,b,g);try{let a=c.getElementById(this.id);this.gl=a.getContext("webgl",{preserveDrawingBuffer:e._Canvas3D.PRESERVE_DRAWING_BUFFER});this.gl||(this.gl=a.getContext("experimental-webgl"))}catch(y){}this.gl?(1!==this.pixelRatio&&this.gl.canvas.width===this.width&&(this.gl.canvas.style.width=this.width+"px",this.gl.canvas.style.height=this.height+"px",this.gl.canvas.width=this.width*this.pixelRatio,this.gl.canvas.height=this.height*this.pixelRatio),this.gl.enable(this.gl.DEPTH_TEST),this.gl.depthFunc(this.gl.LEQUAL),
this.gl.blendFuncSeparate(this.gl.SRC_ALPHA,this.gl.ONE_MINUS_SRC_ALPHA,this.gl.ONE,this.gl.ONE_MINUS_SRC_ALPHA),this.gl.clearDepth(1),this.shadowTextureSize=1024,this.rotationMatrix=h.identity([]),this.contentCenter=[0,0,0],this.camera=new d.Camera,this.label3D=new d.Label,this.lighting=new d.Light(this.styles.lightDiffuseColor_3D,this.styles.lightSpecularColor_3D,this.styles.lightDirection_3D),this.fogging=new d.Fog(this.styles.fog_color_3D||this.styles.backgroundColor,this.styles.fog_start_3D,
this.styles.fog_end_3D,this.styles.fog_density_3D),this.gl.depthTextureExt=this.gl.getExtension("WEBGL_depth_texture")||this.gl.getExtension("WEBKIT_WEBGL_depth_texture")||this.gl.getExtension("MOZ_WEBGL_depth_texture"),this.gl.textureFloatExt=this.gl.getExtension("OES_texture_float")||this.gl.getExtension("WEBKIT_OES_texture_float")||this.gl.getExtension("MOZ_OES_texture_float"),this.ssao=new d.SSAO,this.pickerColorTexture=new d.Texture,this.pickerColorTexture.init(this.gl,this.gl.UNSIGNED_BYTE,
this.gl.RGBA,this.gl.RGBA),this.pickerDepthRenderbuffer=new d.Renderbuffer,this.pickerDepthRenderbuffer.init(this.gl,this.gl.DEPTH_COMPONENT16),this.pickerFramebuffer=new d.Framebuffer,this.pickerFramebuffer.init(this.gl),this.pickerFramebuffer.setColorTexture(this.gl,this.pickerColorTexture.texture),this.pickerFramebuffer.setDepthRenderbuffer(this.gl,this.pickerDepthRenderbuffer.renderbuffer),this.lightDepthMapTexture=new d.Texture,this.lightDepthMapRenderbuffer=new d.Renderbuffer,this.lightDepthMapFramebuffer=
new d.Framebuffer,this.lightDepthMapFramebuffer.init(this.gl),this.gl.depthTextureExt?(this.lightDepthMapTexture.init(this.gl,this.gl.UNSIGNED_SHORT,this.gl.DEPTH_COMPONENT),this.lightDepthMapRenderbuffer.init(this.gl,this.gl.RGBA4),this.lightDepthMapFramebuffer.setColorRenderbuffer(this.gl,this.lightDepthMapRenderbuffer.renderbuffer),this.lightDepthMapFramebuffer.setDepthTexture(this.gl,this.lightDepthMapTexture.texture)):(this.lightDepthMapTexture.init(this.gl,this.gl.UNSIGNED_BYTE,this.gl.RGBA,
this.gl.RGBA),this.lightDepthMapRenderbuffer.init(this.gl,this.gl.DEPTH_COMPONENT16),this.lightDepthMapFramebuffer.setColorTexture(this.gl,this.lightDepthMapTexture.texture),this.lightDepthMapFramebuffer.setDepthRenderbuffer(this.gl,this.lightDepthMapRenderbuffer.renderbuffer)),this.isSupportDeferred()&&(this.depthTexture=new d.Texture,this.depthTexture.init(this.gl,this.gl.UNSIGNED_SHORT,this.gl.DEPTH_COMPONENT),this.colorTexture=new d.Texture,this.colorTexture.init(this.gl,this.gl.UNSIGNED_BYTE,
this.gl.RGBA),this.positionTexture=new d.Texture,this.positionTexture.init(this.gl,this.gl.FLOAT,this.gl.RGBA),this.normalTexture=new d.Texture,this.normalTexture.init(this.gl,this.gl.FLOAT,this.gl.RGBA),this.ssaoTexture=new d.Texture,this.ssaoTexture.init(this.gl,this.gl.FLOAT,this.gl.RGBA),this.outlineTexture=new d.Texture,this.outlineTexture.init(this.gl,this.gl.UNSIGNED_BYTE,this.gl.RGBA),this.fxaaTexture=new d.Texture,this.fxaaTexture.init(this.gl,this.gl.FLOAT,this.gl.RGBA),this.imageTexture=
new d.Texture,this.imageTexture.init(this.gl,this.gl.FLOAT,this.gl.RGBA),this.colorFramebuffer=new d.Framebuffer,this.colorFramebuffer.init(this.gl),this.colorFramebuffer.setColorTexture(this.gl,this.colorTexture.texture),this.colorFramebuffer.setDepthTexture(this.gl,this.depthTexture.texture),this.normalFramebuffer=new d.Framebuffer,this.normalFramebuffer.init(this.gl),this.normalFramebuffer.setColorTexture(this.gl,this.normalTexture.texture),this.normalFramebuffer.setDepthTexture(this.gl,this.depthTexture.texture),
this.positionFramebuffer=new d.Framebuffer,this.positionFramebuffer.init(this.gl),this.positionFramebuffer.setColorTexture(this.gl,this.positionTexture.texture),this.positionFramebuffer.setDepthTexture(this.gl,this.depthTexture.texture),this.ssaoFramebuffer=new d.Framebuffer,this.ssaoFramebuffer.init(this.gl),this.ssaoFramebuffer.setColorTexture(this.gl,this.ssaoTexture.texture),this.outlineFramebuffer=new d.Framebuffer,this.outlineFramebuffer.init(this.gl),this.outlineFramebuffer.setColorTexture(this.gl,
this.outlineTexture.texture),this.fxaaFramebuffer=new d.Framebuffer,this.fxaaFramebuffer.init(this.gl),this.fxaaFramebuffer.setColorTexture(this.gl,this.fxaaTexture.texture),this.quadFramebuffer=new d.Framebuffer,this.quadFramebuffer.init(this.gl),this.quadFramebuffer.setColorTexture(this.gl,this.imageTexture.texture),this.finalFramebuffer=new d.Framebuffer,this.finalFramebuffer.init(this.gl),this.finalFramebuffer.setColorTexture(this.gl,this.fxaaTexture.texture),this.finalFramebuffer.setDepthTexture(this.gl,
this.depthTexture.texture),this.normalShader=new d.NormalShader,this.normalShader.init(this.gl),this.positionShader=new d.PositionShader,this.positionShader.init(this.gl),d.SSAOShader&&(this.ssaoShader=new d.SSAOShader,this.ssaoShader.init(this.gl),this.ssaoBlurShader=new d.SSAOBlurShader,this.ssaoBlurShader.init(this.gl)),this.outlineShader=new d.OutlineShader,this.outlineShader.init(this.gl),this.lightingShader=new d.LightingShader,this.lightingShader.init(this.gl),this.fxaaShader=new d.FXAAShader,
this.fxaaShader.init(this.gl),this.quadShader=new d.QuadShader,this.quadShader.init(this.gl)),this.labelShader=new d.LabelShader,this.labelShader.init(this.gl),this.pickShader=new d.PickShader,this.pickShader.init(this.gl),this.phongShader=new d.PhongShader,this.phongShader.init(this.gl),d.DepthShader&&(this.depthShader=new d.DepthShader,this.depthShader.init(this.gl)),this.textTextImage=new d.TextImage,this.textTextImage.init(this.gl),this.gl.textImage=new d.TextImage,this.gl.textImage.init(this.gl),
this.gl.textMesh=new d.TextMesh,this.gl.textMesh.init(this.gl),this.gl.material=new d.Material,this.setupScene()):this.displayMessage()};a.displayMessage=function(){var a=c.getElementById(this.id);a.getContext&&(a=a.getContext("2d"),this.styles.backgroundColor&&(a.fillStyle=this.styles.backgroundColor,a.fillRect(0,0,this.width,this.height)),this.emptyMessage&&(a.fillStyle="#737683",a.textAlign="center",a.textBaseline="middle",a.font="18px Helvetica, Verdana, Arial, Sans-serif",a.fillText(this.emptyMessage,
this.width/2,this.height/2)))};a.renderText=function(a,b){let c={position:[],texCoord:[],translation:[]};this.textTextImage.pushVertexData(a,b,0,c);this.gl.textMesh.storeData(this.gl,c.position,c.texCoord,c.translation);this.textTextImage.useTexture(this.gl);this.gl.textMesh.render(this.gl)};a.setupScene=function(){if(this.gl){var a=m("#"+this.id),c=this.styles.backgroundColor?this.styles.backgroundColor:"transparent";a.css("background-color",c);a="transparent"===c?[0,0,0,0]:n.getRGB(c,1);this.gl.clearColor(a[0],
a[1],a[2],4==a.length?a[3]:1);this.styles.cullBackFace_3D?this.gl.enable(this.gl.CULL_FACE):this.gl.disable(this.gl.CULL_FACE);this.gl.sphereBuffer=new d.Sphere(1,this.styles.atoms_resolution_3D,this.styles.atoms_resolution_3D);this.gl.starBuffer=new d.Star;this.gl.cylinderBuffer=new d.Cylinder(1,1,this.styles.bonds_resolution_3D);this.gl.cylinderClosedBuffer=new d.Cylinder(1,1,this.styles.bonds_resolution_3D,!0);this.gl.boxBuffer=new d.Box(1,1,1);this.gl.pillBuffer=new d.Pill(this.styles.bonds_pillDiameter_3D/
2,this.styles.bonds_pillHeight_3D,this.styles.bonds_pillLatitudeResolution_3D,this.styles.bonds_pillLongitudeResolution_3D);this.gl.lineBuffer=new d.Line;this.gl.lineArrowBuffer=new d.LineArrow;this.gl.arrowBuffer=new d.Arrow(.3,this.styles.compass_resolution_3D);this.gl.quadBuffer=new d.Quad;this.gl.textImage.updateFont(this.gl,this.styles.text_font_size,this.styles.text_font_families,this.styles.text_font_bold,this.styles.text_font_italic,this.styles.text_font_stroke_3D);this.lighting.lightScene(this.styles.lightDiffuseColor_3D,
this.styles.lightSpecularColor_3D,this.styles.lightDirection_3D);this.fogging.fogScene(this.styles.fog_color_3D||this.styles.backgroundColor,this.styles.fog_start_3D,this.styles.fog_end_3D,this.styles.fog_density_3D);this.compass=new d.Compass(this.gl,this.styles);this.lightDepthMapTexture.setParameter(this.gl,this.shadowTextureSize,this.shadowTextureSize);this.lightDepthMapRenderbuffer.setParameter(this.gl,this.shadowTextureSize,this.shadowTextureSize);this.pickerColorTexture.setParameter(this.gl,
this.gl.drawingBufferWidth,this.gl.drawingBufferHeight);this.pickerDepthRenderbuffer.setParameter(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight);this.isSupportDeferred()&&(this.depthTexture.setParameter(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight),this.colorTexture.setParameter(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight),this.imageTexture.setParameter(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight),this.positionTexture.setParameter(this.gl,
this.gl.drawingBufferWidth,this.gl.drawingBufferHeight),this.normalTexture.setParameter(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight),this.ssaoTexture.setParameter(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight),this.outlineTexture.setParameter(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight),this.fxaaTexture.setParameter(this.gl,this.gl.drawingBufferWidth,this.gl.drawingBufferHeight),this.ssao.initSampleKernel(this.styles.ssao_kernel_samples),this.ssao.initNoiseTexture(this.gl));
this.camera.updateProjectionMatrix(this.styles.projectionPerspective_3D);for(let e=0,m=this.molecules.length;e<m;e++)if(a=this.molecules[e],a.labelMesh instanceof d.TextMesh||(a.labelMesh=new d.TextMesh,a.labelMesh.init(this.gl)),a.chains){a.ribbons=[];a.cartoons=[];a.tubes=[];a.pipePlanks=[];for(let e=0,m=a.chains.length;e<m;e++){c=a.chains[e];for(let a=0,b=c.length-1;a<b;a++)c[a].Test=a;var h=3<c.length&&k[c[3].name]&&"#BEA06E"===k[c[3].name].aminoColor;if(0<c.length&&!c[0].lineSegments){for(let a=
0,b=c.length-1;a<b;a++)c[a].setup(c[a+1].cp1,h?1:this.styles.proteins_horizontalResolution);if(!h)for(let a=1,d=c.length-1;a<d;a++)p.vec3AngleFrom(c[a-1].D,c[a].D)>b.PI/2&&(c[a].guidePointsSmall.reverse(),c[a].guidePointsLarge.reverse(),g.scale(c[a].D,-1));for(let a=2,b=c.length-3;a<b;a++)c[a].computeLineSegments(c[a-2],c[a-1],c[a+1],!h,h?this.styles.nucleics_verticalResolution:this.styles.proteins_verticalResolution);c.pop();c.pop();c.pop();c.shift();c.shift()}var l=n.hsl2rgb(1===m?.5:e/m,1,.5);
l="rgb("+l[0]+","+l[1]+","+l[2]+")";c.chainColor=l;if(h)c=new d.Tube(c,this.styles.nucleics_tubeThickness,this.styles.nucleics_tubeResolution_3D),c.chainColor=l,a.tubes.push(c);else{h=new d.PipePlank(c,this.styles);a.pipePlanks.push(h);h=c.shift();var f={front:new d.Ribbon(c,this.styles.proteins_ribbonThickness,!1),back:new d.Ribbon(c,-this.styles.proteins_ribbonThickness,!1)};f.front.chainColor=l;f.back.chainColor=l;a.ribbons.push(f);f={front:new d.Ribbon(c,this.styles.proteins_ribbonThickness,!0),
back:new d.Ribbon(c,-this.styles.proteins_ribbonThickness,!0)};f.front.chainColor=l;f.back.chainColor=l;a.cartoons.push(f);c.unshift(h)}}}this.label3D.updateVerticesBuffer(this.gl,this.getMolecules(),this.styles);if(this instanceof e.MovieCanvas3D&&this.frames)for(let b=0,d=this.frames.length;b<d;b++){a=this.frames[b];for(let b=0,d=a.mols.length;b<d;b++)c=a.mols[b],c.labelMesh instanceof r.d3.TextMesh||(c.labelMesh=new r.d3.TextMesh,c.labelMesh.init(this.gl));this.label3D.updateVerticesBuffer(this.gl,
a.mols,this.styles)}}};a.updateScene=function(){this.camera.updateProjectionMatrix(this.styles.projectionPerspective_3D);this.lighting.lightScene(this.styles.lightDiffuseColor_3D,this.styles.lightSpecularColor_3D,this.styles.lightDirection_3D);this.fogging.fogScene(this.styles.fog_color_3D||this.styles.backgroundColor,this.styles.fog_start_3D,this.styles.fog_end_3D,this.styles.fog_density_3D);this.repaint()};a.mousedown=function(a){this.lastPoint=a.p};a.mouseup=function(a){this.lastPoint=l};a.rightmousedown=
function(a){this.lastPoint=a.p};a.drag=function(a){if(this.lastPoint){if(e.monitor.ALT){var c=new r.Point(a.p.x,a.p.y);c.sub(this.lastPoint);var d=b.tan(this.camera.fieldOfView/360*b.PI);d=this.height/2/this.camera.zoom/d;d=this.camera.focalLength()/d;h.translate(this.camera.viewMatrix,[c.x*d,-c.y*d,0])}else d=a.p.x-this.lastPoint.x,c=a.p.y-this.lastPoint.y,d=h.rotate(h.identity([]),d*b.PI/180,[0,1,0]),h.rotate(d,c*b.PI/180,[1,0,0]),this.rotationMatrix=h.multiply(d,this.rotationMatrix);this.lastPoint=
a.p;this.repaint()}};a.mousewheel=function(a,b){0<b?this.camera.zoomIn():this.camera.zoomOut();this.updateScene()};a.multitouchmove=function(a,c){if(2===c)if(this.lastPoint&&this.lastPoint.multi){c=new r.Point(a.p.x,a.p.y);c.sub(this.lastPoint);var d=b.tan(this.camera.fieldOfView/360*b.PI);d=this.height/2/this.camera.zoom/d;d=this.camera.focalLength()/d;h.translate(this.camera.viewMatrix,[c.x*d,-c.y*d,0]);this.lastPoint=a.p;this.repaint()}else this.lastPoint=a.p,this.lastPoint.multi=!0};a.gesturechange=
function(a){if(0!==a.originalEvent.scale-this.lastPinchScale){let b=30*-(a.originalEvent.scale/this.lastPinchScale-1);if(isNaN(b))return;0<b?this.camera.zoomOut():this.camera.zoomIn();this.updateScene();this.lastPinchScale=a.originalEvent.scale}this.repaint()};a.gestureend=function(a){this.lastPinchScale=1;this.lastGestureRotate=0}})(ChemDoodle,ChemDoodle.extensions,ChemDoodle.math,ChemDoodle.structures,ChemDoodle.structures.d3,ChemDoodle.RESIDUE,Math,document,ChemDoodle.lib.mat4,ChemDoodle.lib.mat3,
ChemDoodle.lib.vec3,ChemDoodle.lib.jQuery,window);
(function(e,p,n,r,d){e.MolGrabberCanvas3D=function(d,b,c){d&&this.create(d,b,c);b=[];b.push('\x3cbr\x3e\x3cinput type\x3d"text" id\x3d"');b.push(d);b.push('_query" size\x3d"32" value\x3d"" /\x3e');b.push("\x3cbr\x3e\x3cnobr\x3e");b.push('\x3cselect id\x3d"');b.push(d);b.push('_select"\x3e');b.push('\x3coption value\x3d"pubchem" selected\x3ePubChem');b.push("\x3c/select\x3e");b.push('\x3cbutton type\x3d"button" id\x3d"');b.push(d);b.push('_submit"\x3eShow Molecule\x3c/button\x3e');b.push("\x3c/nobr\x3e");
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(function(e,p,n){e.MovieCanvas3D=function(e,d,k){e&&this.create(e,d,k);this.frames=[]};e.MovieCanvas3D.PLAY_ONCE=0;e.MovieCanvas3D.PLAY_LOOP=1;e.MovieCanvas3D.PLAY_SPRING=2;n=e.MovieCanvas3D.prototype=new e._Canvas3D;n.timeout=50;n.frameNumber=0;n.playMode=2;n.reverse=!1;n.startAnimation=e._AnimatorCanvas.prototype.startAnimation;n.stopAnimation=e._AnimatorCanvas.prototype.stopAnimation;n.isRunning=e._AnimatorCanvas.prototype.isRunning;n.dblclick=e.RotatorCanvas.prototype.dblclick;n.nextFrame=function(e){e=
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(function(e,p,n,r){let d=[],k=[1,0,0],b=[0,1,0],c=[0,0,1];e.RotatorCanvas3D=function(a,b,c){a&&this.create(a,b,c)};let h=e.RotatorCanvas3D.prototype=new e._Canvas3D;h.timeout=33;p=p.PI/15;h.xIncrement=p;h.yIncrement=p;h.zIncrement=p;h.startAnimation=e._AnimatorCanvas.prototype.startAnimation;h.stopAnimation=e._AnimatorCanvas.prototype.stopAnimation;h.isRunning=e._AnimatorCanvas.prototype.isRunning;h.dblclick=e.RotatorCanvas.prototype.dblclick;h.mousedown=r;h.rightmousedown=r;h.drag=r;h.mousewheel=
r;h.nextFrame=function(a){0===this.molecules.length&&0===this.shapes.length?this.stopAnimation():(n.identity(d),a/=1E3,n.rotate(d,this.xIncrement*a,k),n.rotate(d,this.yIncrement*a,b),n.rotate(d,this.zIncrement*a,c),n.multiply(this.rotationMatrix,d))}})(ChemDoodle,Math,ChemDoodle.lib.mat4);(function(e,p){e.TransformCanvas3D=function(e,p,d){e&&this.create(e,p,d)};e.TransformCanvas3D.prototype=new e._Canvas3D})(ChemDoodle);
(function(e,p){e.ViewerCanvas3D=function(e,p,d){e&&this.create(e,p,d)};e=e.ViewerCanvas3D.prototype=new e._Canvas3D;e.mousedown=p;e.rightmousedown=p;e.drag=p;e.mousewheel=p})(ChemDoodle);
(function(e,p,n,r,d){function k(b,c,d,a){this.element=b;this.x=c;this.y=d;this.dimension=a;this.allowMultipleSelections=!1}e.PeriodicTableCanvas=function(b,c){this.padding=5;b&&this.create(b,18*c+2*this.padding,10*c+2*this.padding);this.cellDimension=c?c:20;this.setupTable();this.repaint()};r=e.PeriodicTableCanvas.prototype=new e._Canvas;r.loadMolecule=d;r.getMolecule=d;r.getHoveredElement=function(){return this.hovered?this.hovered.element:d};r.innerRepaint=function(b){for(let c=0,d=this.cells.length;c<
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n.isBetween(b,a.y,a.y+a.dimension)){this.hovered=a;break}}this.repaint()};r.mouseout=function(b){this.hovered=d;this.repaint()}})(ChemDoodle,ChemDoodle.extensions,ChemDoodle.math,document);
(function(e,p,n,r,d){p.png={};p.png.string=function(d){if(d instanceof e._Canvas3D&&!d.gl.getContextAttributes().preserveDrawingBuffer)throw Error("PNG data cannot be created from a Canvas3D component unless the ChemDoodle._Canvas3D.PRESERVE_DRAWING_BUFFER boolean is set to true before the Canvas3D component is initialized.");return n.getElementById(d.id).toDataURL("image/png")};p.png.download=function(e,b){b===d&&(b="unnamed");let c=n.createElement("a");c.href=this.string(e);c.download=b;c.click()};
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(function(e,p,n,r,d,k,b){p.SERVER_URL="https://ichemlabs.cloud.chemdoodle.com/icl_cdc_v090000/WebHQ";p.inRelay=!1;p.asynchronous=!0;p.INFO={userAgent:navigator.userAgent,platform:navigator.platform,v_cwc:e.getVersion(),v_jQuery:d.fn.jquery,v_jQuery_ui:"N/A"};let c=new n.JSONInterpreter,h=new r.Queue;p._contactServer=function(a,b,c,e,l){if(this.inRelay)h.enqueue({call:a,content:b,options:c,callback:e,errorback:l});else{p.inRelay=!0;let g=b instanceof FormData;a=JSON.stringify({call:a,content:g?{}:
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a.width,a.height)},d)};p.generateImage=function(a,b,d,e){this._contactServer("generateImage",{mol:c.molTo(a)},b,function(a){d(a.link)},e)};p.generateIUPACName=function(a,b,d,e){this._contactServer("generateIUPACName",{mol:c.molTo(a)},b,function(a){d(a.iupac,a.attemptedPIN)},e)};p.getMoleculeFromContent=function(a,b,d,e){this._contactServer("getMoleculeFromContent",{content:a},b,function(a){let b=!1;for(let c=0,d=a.mol.a.length;c<d;c++)if(0!==a.mol.a[c].z){b=!0;break}if(b)for(let b=0,c=a.mol.a.length;b<
c;b++)a.mol.a[b].x/=20,a.mol.a[b].y/=20,a.mol.a[b].z/=20;d(c.molFrom(a.mol))},e)};p.getMoleculeFromDatabase=function(a,b,d,e){this._contactServer("getMoleculeFromDatabase",{query:a},b,function(a){if(3===b.dimension)for(let b=0,c=a.mol.a.length;b<c;b++)a.mol.a[b].x/=20,a.mol.a[b].y/=-20,a.mol.a[b].z/=20;d(c.molFrom(a.mol))},e)};p.getOptimizedPDBStructure=function(a,b,d,e){this._contactServer("getOptimizedPDBStructure",{id:a},b,function(a){let b;b=a.mol?c.molFrom(a.mol):new r.Molecule;b.chains=c.chainsFrom(a.ribbons);
for(let c=0,d=b.chains.length;c<d;c++){a=b.chains[c];for(let b=0,c=a.length-1;b<c;b++)a[b+1].arrow&&(a[b+1].arrow=!1,a[b].arrow=!0)}b.fromJSON=!0;d(b)},e)};p.getZeoliteFromIZA=function(a,b,c,d){this._contactServer("getZeoliteFromIZA",{query:a},b,function(a){c(ChemDoodle.readCIF(a.cif,b.xSuper,b.ySuper,b.zSuper))},d)};p.isGraphIsomorphism=function(a,b,d,e,h){this._contactServer("isGraphIsomorphism",{arrow:c.molTo(a),target:c.molTo(b)},d,function(a){e(a.value)},h)};p.isSubgraphIsomorphism=function(a,
b,d,e,h){this._contactServer("isSubgraphIsomorphism",{arrow:c.molTo(a),target:c.molTo(b)},d,function(a){e(a.value)},h)};p.isSupergraphIsomorphism=function(a,b,d,e,h){this._contactServer("isSupergraphIsomorphism",{arrow:c.molTo(a),target:c.molTo(b)},d,function(a){e(a.value)},h)};p.getSimilarityMeasure=function(a,b,d,e,h){this._contactServer("getSimilarityMeasure",{first:c.molTo(a),second:c.molTo(b)},d,function(a){e(a.value)},h)};p.kekulize=function(a,b,d,e){this._contactServer("kekulize",{mol:c.molTo(a)},
b,function(a){d(c.molFrom(a.mol))},e)};p.maximumCommonSubstructure=function(a,b,d,e,h){this._contactServer("maximumCommonSubstructure",{m1:c.molTo(a),m2:c.molTo(b)},d,function(a){e(a.map)},h)};p.mechanismMatch=function(a,b,c,d,e){this._contactServer("matchMechanism",{arrow:a,targets:b},c,function(a){d(a)},e)};p.optimize=function(a,b,d,e){this._contactServer("optimize",{mol:c.molTo(a)},b,function(e){e=c.molFrom(e.mol);if(2===b.dimension){for(let b=0,c=e.atoms.length;b<c;b++)a.atoms[b].x=e.atoms[b].x,
a.atoms[b].y=e.atoms[b].y;d()}else if(3===b.dimension){for(let a=0,b=e.atoms.length;a<b;a++)e.atoms[a].x/=20,e.atoms[a].y/=-20,e.atoms[a].z/=20;d(e)}},e)};p.readIUPACName=function(a,b,d,e){this._contactServer("readIUPACName",{iupac:a},b,function(a){let b=[];for(let d=0,e=a.mols.length;d<e;d++)b.push(c.molFrom(a.mols[d]));d(b,a.warning)},e)};p.readSMILES=function(a,b,d,e){this._contactServer("readSMILES",{smiles:a},b,function(a){d(c.contentFrom(a.content))},e)};p.readWLN=function(a,b,d,e){this._contactServer("readWLN",
{wln:a},b,function(a){d(c.contentFrom(a.content))},e)};p.resolveCIP=function(a,b,d,e){this._contactServer("resolveCIP",{mol:c.molTo(a)},b,function(a){d(a.atoms,a.bonds)},e)};p.saveFile=function(a,b,d,e){this._contactServer("saveFile",{mol:c.molTo(a)},b,function(a){d(a.link)},e)};p.simulate13CNMR=function(a,b,d,h){b.nucleus="C";b.isotope=13;this._contactServer("simulateNMR",{mol:c.molTo(a)},b,function(a){d(e.readJCAMP(a.jcamp))},h)};p.simulate1HNMR=function(a,b,d,h){b.nucleus="H";b.isotope=1;this._contactServer("simulateNMR",
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d,e,h){this._contactServer("writeSMILES",{content:c.contentTo(a,b)},d,function(a){e(a.smiles)},h)};p.version=function(a,b,c){this._contactServer("version",{},a,function(a){b(a.value)},c)};p.checkForUpdates=function(a){this._contactServer("checkForUpdates",{value:k.href},a,function(a){},function(){})}})(ChemDoodle,ChemDoodle.iChemLabs,ChemDoodle.io,ChemDoodle.structures,ChemDoodle.lib.jQuery,location);