Schrodinger
Schrodinger[1] is installed privately for research groups who have a license.
Installed Version
Schrodinger 2017-1 is installed.
To use, first add your group's module directory
[juser@proteusi01 ~]$ module use --append /mnt/HA/groups/myrsrchGrp/opt/modulefiles
Then load:
[juser@proteusi01 ~]$ module load schrodinger/2017-1
License
Request licenses for specific features by requesting the appropriate Grid Engine complex, for example ("glide_main" is the complex):
#$ -l glide_main=16
These are the features licensed. The complex is just the feature name, converted into all lower-case:
Users of CANVAS_ELEMENTS: (Total of 200 licenses issued; Total of 0 licenses in use)
Users of CANVAS_MAIN: (Total of 50 licenses issued; Total of 0 licenses in use)
Users of CANVAS_SHARED: (Total of 2000 licenses issued; Total of 0 licenses in use)
Users of FFLD_OPLS_MAIN: (Total of 1 license issued; Total of 0 licenses in use)
Users of KNIME_MAIN: (Total of 50 licenses issued; Total of 0 licenses in use)
Users of LIGPREP_MAIN: (Total of 17 licenses issued; Total of 0 licenses in use)
Users of MAESTRO_MAIN: (Total of 2000 licenses issued; Total of 0 licenses in use)
Users of MMLIBS: (Total of 4500 licenses issued; Total of 0 licenses in use)
Users of MMOD_CONFGEN: (Total of 25 licenses issued; Total of 0 licenses in use)
Users of MMOD_MACROMODEL: (Total of 18 licenses issued; Total of 0 licenses in use)
Users of MMOD_MBAE: (Total of 9 licenses issued; Total of 0 licenses in use)
Users of PHASE_DBCREATE: (Total of 5 licenses issued; Total of 0 licenses in use)
Users of PHASE_DBSEARCH: (Total of 5 licenses issued; Total of 1 license in use)
Users of PHASE_FEATURE: (Total of 5 licenses issued; Total of 0 licenses in use)
Users of PHASE_PARTITION: (Total of 5 licenses issued; Total of 0 licenses in use)
Users of PHASE_QSAR: (Total of 5 licenses issued; Total of 0 licenses in use)
Users of PHASE_SCORING: (Total of 5 licenses issued; Total of 0 licenses in use)
Users of PHASE_SELECTIVITY: (Total of 5 licenses issued; Total of 0 licenses in use)
Users of SUITE_01JUL2014: (Total of 16 licenses issued; Total of 0 licenses in use)
Users of EPIK_MAIN: (Total of 16 licenses issued; Total of 0 licenses in use)
Users of GLIDE_MAIN: (Total of 16 licenses issued; Total of 0 licenses in use)
Users of GLIDE_SP_DOCKING: (Total of 16 licenses issued; Total of 0 licenses in use)
Users of GLIDE_XP_DESC: (Total of 16 licenses issued; Total of 0 licenses in use)
Users of GLIDE_XP_DOCKING: (Total of 16 licenses issued; Total of 0 licenses in use)\
Users of IMPACT_MAIN: (Total of 16 licenses issued; Total of 0 licenses in use)
Users of PSP_BB: (Total of 16 licenses issued; Total of 0 licenses in use)
Users of PSP_FR: (Total of 16 licenses issued; Total of 0 licenses in use)
Users of PSP_PLOP: (Total of 16 licenses issued; Total of 0 licenses in use)
Users of PSP_PLOP_MEMBRANE: (Total of 16 licenses issued; Total of 0 licenses in use)
Users of PSP_RB: (Total of 16 licenses issued; Total of 0 licenses in use)
Users of PSP_SKA: (Total of 16 licenses issued; Total of 0 licenses in use)
Users of PSP_SSP: (Total of 16 licenses issued; Total of 0 licenses in use)
Users of PSP_STA: (Total of 16 licenses issued; Total of 0 licenses in use)
Users of PSP_STA_GPCR: (Total of 16 licenses issued; Total of 0 licenses in use)
Users of QIKPROP_MAIN: (Total of 16 licenses issued; Total of 0 licenses in use)
For more information on this license mechanism, see Licensed Software.