Merge pull request #4524 from epam/4519-add-peptides-to-monomer-libra…

…ry-backmerge-2.20.0-rc.2-hf.1 Backmerge: #4519 - Macro: Add Pyrro and AspOH peptides to monomer library
epam · Apr 23, 2024 · 714591e · 714591e
2 parents 4e643ff + c92ba13
commit 714591e
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diff --git a/.../zoom.spec.ts-snapshots/Zoom-Tool-Maximum-browser-zoom-out-1-chromium-linux.png b/.../zoom.spec.ts-snapshots/Zoom-Tool-Maximum-browser-zoom-out-1-chromium-linux.png
diff --git a/package-lock.json b/package-lock.json
diff --git a/packages/ketcher-core/package.json b/packages/ketcher-core/package.json
@@ -1,6 +1,6 @@
 {
   "name": "ketcher-core",
-  "version": "2.20.0-rc.2",
+  "version": "2.20.0-rc.2-hf.1",
   "description": "Web-based molecule sketcher",
   "license": "Apache-2.0",
   "homepage": "http://lifescience.opensource.epam.com/ketcher",

diff --git a/packages/ketcher-macromolecules/package.json b/packages/ketcher-macromolecules/package.json
@@ -1,6 +1,6 @@
 {
   "name": "ketcher-macromolecules",
-  "version": "2.20.0-rc.2",
+  "version": "2.20.0-rc.2-hf.1",
   "description": "Web-based molecule sketcher",
   "license": "Apache-2.0",
   "homepage": "http://lifescience.opensource.epam.com/ketcher",

diff --git a/packages/ketcher-macromolecules/src/data/monomers.sdf b/packages/ketcher-macromolecules/src/data/monomers.sdf
@@ -4430,6 +4430,95 @@ false
 [R2]O
 [R3]H
 
+$$$$
+Aspartic acid (OH)
+  SciTegic07272112182D
+
+ 10 9  0  0  1  0            999 V2000
+    1.6310   -1.5578    0.0000 C   0  0
+    1.6327   -2.7392    0.0000 O   0  0
+    0.3507   -0.8201    0.0000 C   0  0  1  0  0  0
+   -0.9295   -1.5578    0.0000 N   0  0
+   -1.9525   -0.9669    0.0000 R#  0  0
+    0.3485    0.6575    0.0000 C   0  0
+   -0.9317    1.3952    0.0000 C   0  0
+   -1.9542    0.8032    0.0000 O   0  0
+   -0.9335    2.5766    0.0000 R#  0  0
+    2.6534   -0.9658    0.0000 R#  0  0
+  2  1  2  0
+  1  3  1  0
+  3  4  1  0
+  4  5  1  0
+  3  6  1  1
+  6  7  1  0
+  7  8  2  0
+  7  9  1  0
+  1 10  1  0
+M  RGP  3   5   1  10   2  9   3
+M  END
+> <Name>
+Aspartic acid (OH)
+
+> <MonomerType>
+PEPTIDE
+
+> <MonomerName>
+AspOH
+
+> <MonomerCode>
+AspOH
+
+> <MonomerNaturalAnalogCode>
+D
+
+> <BranchMonomer>
+false
+
+> <MonomerCaps>
+[R1]H
+[R2]O
+[R3]O
+
+$$$$
+Pyrrolidine
+  Ketcher  4232413472D 1   1.00000     0.00000     0
+
+  6  6  0  0  0  0  0  0  0  0999 V2000
+   14.0000   -8.6056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
+   14.8090   -9.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   14.5000  -10.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   13.5000  -10.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   13.1910   -9.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
+   14.0000   -7.6056    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0
+  1  5  1  0     0  0
+  5  4  1  0     0  0
+  4  3  1  0     0  0
+  3  2  1  0     0  0
+  2  1  1  0     0  0
+  1  6  1  0     0  0
+M  RGP  1   6   1
+M  END
+> <Name>
+Pyrrolidine
+
+> <MonomerType>
+PEPTIDE
+
+> <MonomerName>
+Pyrro
+
+> <MonomerCode>
+Pyrro
+
+> <MonomerNaturalAnalogCode>
+X
+
+> <BranchMonomer>
+false
+
+> <MonomerCaps>
+[R1]H
+
 $$$$
 2,4-diaminobutanoic acid
   SciTegic07272112182D

diff --git a/packages/ketcher-react/package.json b/packages/ketcher-react/package.json
@@ -1,6 +1,6 @@
 {
   "name": "ketcher-react",
-  "version": "2.20.0-rc.2",
+  "version": "2.20.0-rc.2-hf.1",
   "description": "Web-based molecule sketcher",
   "license": "Apache-2.0",
   "homepage": "http://lifescience.opensource.epam.com/ketcher",

diff --git a/packages/ketcher-standalone/package.json b/packages/ketcher-standalone/package.json
@@ -1,6 +1,6 @@
 {
   "name": "ketcher-standalone",
-  "version": "2.20.0-rc.2",
+  "version": "2.20.0-rc.2-hf.1",
   "description": "Web-based molecule sketcher",
   "license": "Apache-2.0",
   "homepage": "http://lifescience.opensource.epam.com/ketcher",