config.ini

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# config.ini for finDrVS                                         #
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# * paths to directories always without "/" at the end           #
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[finDrVS]
# Path to MGLTools-1.5.6 utilities
# usually in MGLPATH/MGLToolsPckgs/AutoDockTools/Utilities24 where MGLPATH
# is the installation directory of MGLTools-1.5.6
MGLToolsUtilities = /home/fk/MGLTools-1.5.6/MGLToolsPckgs/AutoDockTools/Utilities24
# Path to pythonsh from MGLTools-1.5.6
pythonsh = /home/fk/MGLTools-1.5.6/bin/pythonsh
# Working directory, has to be accessible from every node, results will be
# written into a file here
workdir = /home/fk/Documents/iGEM/software/finDrVS/testing
# Path to the executable of AutoDock Vina 
# If vina is in $PATH
# (which means it can be executed from the terminal by just typing "vina"),
# the following line can be commented out
vina = /home/fk/autodock_vina_1_1_2_linux_x86/bin/vina
# Exhaustiveness, a good value is usually 8
exhaustiveness=1
# Path to receptors
receptors = /home/fk/Documents/iGEM/software/finDrVS/testing/receptors
# Receptors already prepared?
receptorsprep = yes
# Path to PDB library
library = /home/fk/Documents/iGEM/software/finDrVS/testing/library