SHELL=/bin/bash SESSION_MANAGER=local/luna:@/tmp/.ICE-unix/1735305,unix/luna:/tmp/.ICE-unix/1735305 WINDOWID=56623107 ULTRASCAN=/usr/share/ultrascan3 COLORTERM=truecolor CNS_NMRMODULE=/software/share/cns_solve-1.3-r8+haddock-2.2-patch/modules/nmr GMX_NO_QUOTES= SCIPY_PIL_IMAGE_VIEWER=/usr/bin/ristretto XDG_CONFIG_DIRS=/etc/xdg:/etc/xdg CNS_ARCH=intel-x86_64bit-linux LESS=-R -M --shift 5 XDG_MENU_PREFIX=xfce- JDK_HOME=/etc/java-config-2/current-system-vm SYMOP=/software/share/ccp4-8.0/lib/data/symop.lib CHTML=/software/share/ccp4-8.0/html MAIN_DOC=/software/share/main_2012/doc/ CONFIG_PROTECT_MASK=/etc/sandbox.d /etc/fonts/fonts.conf /etc/gentoo-release /etc/dconf /etc/ca-certificates.conf /etc/texmf/web2c /etc/texmf/language.dat.d /etc/texmf/language.def.d /etc/texmf/updmap.d /etc/revdep-rebuild R_HOME=/usr/lib64/R CCP4_OPEN=UNKNOWN CLIBD=/software/share/ccp4-8.0/lib/data PKG_CONFIG_PATH=/opt/intel/oneapi/mkl/2022.2.1/lib/pkgconfig GNOME_KEYRING_CONTROL=/home/markus/.cache/keyring-8YYQ21 HKLDIR=/software/share/hkl2000-v721.4/hklint MOE=/software/share/moe2022 GMXTIMEUNIT=ps PlotStats=jdtplot DTPROCESS_LOGFILE_NAME LC_ADDRESS=en_CA.UTF-8 JAVA_HOME=/etc/java-config-2/current-system-vm SOLVEDIR=/software/lib/solve/ LC_NAME=en_CA.UTF-8 SSH_AUTH_SOCK=/home/markus/.cache/keyring-8YYQ21/ssh SYMINFO=/software/share/ccp4-8.0/lib/data/syminfo.lib CNS_XTALMODULE=/software/share/cns_solve-1.3-r8+haddock-2.2-patch/modules/xtal CCP4I_TOP=/software/share/ccp4-8.0/share/ccp4i CCP4_MASTER=/software/share ANT_HOME=/usr/share/ant MAIN_MENU=/software/share/main_2012/doc/menu/ RELION_RESMAP_EXECUTABLE=/usr/bin/ResMap DESKTOP_SESSION=xfce LC_MONETARY=en_CA.UTF-8 CCP4_HELPDIR=/software/share/ccp4-8.0/help/ EDITOR=vim BALBES_ROOT=/software/share/ccp4-8.0/BALBES RELION_PDFVIEWER_EXECUTABLE=/usr/bin/atril GTK_MODULES=canberra-gtk-module MAIN_UTILS=/software/share/main_2012/utils/ PWD=/home/markus/software/src/relion CONFIG_PROTECT=/usr/share/gnupg/qualified.txt /usr/lib64/libreoffice/program/sofficerc MRD_PROG=/software/share/MoRDa_DB/bin_linux LOGNAME=markus XDG_SESSION_DESKTOP=xfce QT_QPA_PLATFORMTHEME=qt5ct motifdir=/software/share/promotif3.0mm-r1 XDG_SESSION_TYPE=tty CEXAM=/software/share/ccp4-8.0/examples MRD_DB=/software/share/MoRDa_DB PANEL_GDK_CORE_DEVICE_EVENTS=0 CCP4_SCR=/tmp/markus MANPATH=/home/markus/software/share/man:/home/markus/.local/share/man:/software/share/ccp4-8.0/share/man:/software/share/man:/etc/java-config-2/current-system-vm/man:/usr/share/gcc-data/x86_64-pc-linux-gnu/11/man:/usr/share/binutils-data/x86_64-pc-linux-gnu/2.39/man:/etc/java-config-2/current-system-vm/man/:/usr/local/share/man:/usr/share/man:/usr/lib/rust/man:/usr/lib/llvm/15/share/man:/usr/lib/llvm/11/share/man:/etc/eselect/wine/share/man:/software/share/IMOD/man XAUTHORITY=/home/markus/.Xauthority OPENCL_PROFILE=nvidia MAIN_CMDS=/software/share/main_2012/cmds/ IMOD_CALIB_DIR= MOTD_SHOWN=pam VIRTUALENVWRAPPER_SCRIPT=/usr/bin/virtualenvwrapper.sh warpdoc=/software/share/arp_warp_8.0/manual HOME=/home/markus LANG=en_CA.UTF-8 LC_PAPER=en_CA.UTF-8 DSSP=/software/bin/dssp 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XDG_CURRENT_DESKTOP=XFCE FLTK_DOCDIR=/usr/share/doc/fltk-1.3.5-r4/html VTE_VERSION=7002 IMOD_DIR=/software/share/IMOD MSMS_ATMTYPENUMBERS=/software/share/msms-2.6.1/atmtypenumbers GMX_VIEW_XPM=ristretto VIRTUALENVWRAPPER_WORKON_CD=1 MMCIFDIC=/software/share/ccp4-8.0/lib/ccp4/cif_mmdic.lib CNS_INST=/software/share/cns_solve-1.3-r8+haddock-2.2-patch/intel-x86_64bit-linux CNS_NMRLIB=/software/share/cns_solve-1.3-r8+haddock-2.2-patch/libraries/nmr CLIB=/software/share/ccp4-8.0/lib LaueCheck=dtcell DTPROCESS_HEADER_NAME DTPROCESS_REFLNLIST_NAME CNS_HELPLIB=/software/share/cns_solve-1.3-r8+haddock-2.2-patch/helplib CNS_XTALLIB=/software/share/cns_solve-1.3-r8+haddock-2.2-patch/libraries/xtal MergeHeaders=dtheadermerge DTPROCESS_HEADER_NAME DTPROCESS_IMAGE_NAME +SCAN\* +ROTATION\* +\*_GONIO_VALUES +SOURCE_WAVELENGTH DTREK_PREFIXnewmerge.head IMOD_PLUGIN_DIR=/software/share/IMOD/lib/imodplug SSH_CONNECTION=10.176.85.19 59632 10.50.9.225 22 GFORTRAN_UNBUFFERED_PRECONNECTED=Y DTREK_BINSUFFIX=_linux MODINSTALL10v4=/opt/modeller QT_GRAPHICSSYSTEM=raster EMBOSS_ACDROOT=/usr/share/EMBOSS/acd OSYM=/software/share/o-11.0.2/data_duke/symm CNS_SOURCE=/software/share/cns_solve-1.3-r8+haddock-2.2-patch/intel-x86_64bit-linux/source GKLIB=/software/share/usf-7.9.2009/lib warpbin=/software/share/arp_warp_8.0/bin/bin-x86_64-Linux CCP4_LIB=/software/share/ccp4-8.0/lib XUSERFILESEARCHPATH=/software/share/DTREK99/bin_linux/X/%N: ICMHOME=/software/share/icm-3.9-1b MAIN_R3D_FONT=/software/share/main_2012/crke/ NX_SYSTEM=/opt/NX INFOPATH=/home/markus/software/share/info:/home/markus/.local/share/info:/software/share/info:/usr/share/gcc-data/x86_64-pc-linux-gnu/11/info:/usr/share/binutils-data/x86_64-pc-linux-gnu/2.39/info:/usr/share/info:/usr/share/info/emacs-28 X3DNA=/software/share/x3dna-v2.3 MOZ_GMP_PATH=/usr/lib64/nsbrowser/plugins/gmp-gmpopenh264/system-installed MAIN_SYMM=/software/share/main_2012/symm/ DTREK_PROCESS_EXTERN=RankMyImage WORKON_HOME=/software/share/virtualenv CCP4=/software/share/ccp4-8.0 JAVAC=/etc/java-config-2/current-system-vm/bin/javac HKLLIC=/software/share/hkl2000-v721.4/lib HKLPATH=/software/share/hkl2000-v721.4/bin HKLLIB=/software/share/hkl2000-v721.4/lib XDG_SESSION_CLASS=user CNS_CONFDB=/software/share/cns_solve-1.3-r8+haddock-2.2-patch/libraries/confdb BDG_home=/software/share/sharp-2.8.12 PYTHONPATH=/software/lib64/python3.8/site-packages:/home/markus/scripts/lib/pylib LC_IDENTIFICATION=en_CA.UTF-8 TERM=xterm-256color GMX_VIEW_PDB=vmd SHARP_home=/software/share/sharp-2.8.12 LESSOPEN=|lesspipe %s MAIN_CMDS_NEW=/software/share/main_2012/cmds_new/ USER=markus LIBRARY_PATH=/opt/intel/oneapi/mkl/2022.2.1/lib/intel64 prodir=/usr/libexec/procheck/ MAIN_CONF=/software/share/main_2012/config/ MANPAGER=manpager VIRTUALENVWRAPPER_PROJECT_FILENAME=.project DISPLAY=:2.0 SHLVL=3 CRANK=/software/share/ccp4-8.0/share/ccp4i/crank PAGER=less LC_TELEPHONE=en_CA.UTF-8 LEX=flex LC_MESSAGES=en_CA.UTF-8 LC_MEASUREMENT=en_CA.UTF-8 ODAT=/software/share/o-11.0.2/data_duke XDG_SESSION_ID=2365 RELION_CTFFIND_EXECUTABLE=/usr/bin/ctffind MAIN_COM=/software/share/main_2012/doc/com/ XDG_DESKTOP_NAMES=XFCE LD_LIBRARY_PATH=/opt/intel/oneapi/mkl/2022.2.1/lib/intel64:/home/markus/software/lib64:/home/markus/.local/lib64:/software/lib:/usr/local/lib:/software/share/IMOD/lib EMBOSS_DATA=/usr/share/EMBOSS/data LC_CTYPE=en_CA.UTF-8 CLIBD_MON=/software/share/ccp4-8.0/lib/data/monomers/ XSESSION=Xfce4 XDG_RUNTIME_DIR=/run/user/1002 GMX_VIEW_XVG=xmgrace GCC_SPECS= SSL_CERT_FILE=/software/share/ccp4-8.0/etc/ssl/cacert.pem MARCCDMask=dtnonunfedit DTPROCESS_IMAGE_NAME DTPROCESS_IMAGE_NAME 11 marccd.mask GSETTINGS_BACKEND=dconf SSH_CLIENT=10.176.85.19 59632 22 DTREK_LICENSE_FILE=/software/share/DTREK99/bin/DTREK_LICENSE_FILE CBIN=/software/share/ccp4-8.0/bin VNC_SESSION= MKLROOT=/opt/intel/oneapi/mkl/2022.2.1 STEREO=ON LC_TIME=en_CA.UTF-8 OMP_NUM_THREADS=24 DTREK_HTML_ROOT=/software/share/DTREK99/doc/HTML CNS_LIB=/software/share/cns_solve-1.3-r8+haddock-2.2-patch/libraries CNS_MODULE=/software/share/cns_solve-1.3-r8+haddock-2.2-patch/modules LC_ALL= CNS_TOPPAR=/software/share/cns_solve-1.3-r8+haddock-2.2-patch/libraries/toppar LC_COLLATE=en_CA.UTF-8 CETC=/software/share/ccp4-8.0/etc XDG_DATA_DIRS=/usr/local/share:/usr/share:/etc/eselect/wine/share:/usr/share NLSPATH=/opt/intel/oneapi/mkl/2022.2.1/lib/intel64/locale/%l_%t/%N BROWSER=/usr/bin/firefox PATH=/opt/intel/oneapi/mkl/2022.2.1/bin/intel64:/usr/local/sbin:/usr/local/bin:/usr/bin:/opt/bin:/usr/lib/llvm/15/bin:/usr/lib/llvm/11/bin:/opt/cuda/bin:/opt/cuda/libnvvp CNS_XRAYLIB=/software/share/cns_solve-1.3-r8+haddock-2.2-patch/libraries/xray VIRTUALENVWRAPPER_HOOK_DIR=/software/share/virtualenv GDMSESSION=xfce HKLBASE=/software/share/hkl2000-v721.4 DBUS_SESSION_BUS_ADDRESS=unix:path=/run/user/1002/bus CNS_SOLVE=/software/share/cns_solve-1.3-r8+haddock-2.2-patch DTREK_ROOT=/software/share/DTREK99 MAIL=/var/mail/markus MAIN=/software/share/main_2012/ RELION_MOTIONCOR2_EXECUTABLE=/usr/bin/MotionCor2 DTREK_REFLN_BINARY=True CCP4I_TCLTK=/software/share/ccp4-8.0/bin ROSETTA3_DB=/software/share/rosetta-3.12/database CPATH=/opt/intel/oneapi/mkl/2022.2.1/include CINCL=/software/share/ccp4-8.0/include PDB_EXTRACT=/software/share/pdb-extract-v3.11 LC_NUMERIC=en_CA.UTF-8 OLDPWD=/home/markus/software/src/relion/relion_build RELION_WARNING_LOCAL_MPI=24 GMX_VIEW_EPS=atril _=/usr/bin/env