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2017-2 Schrodinger Python API
Package schrodinger :: Package application :: Package desmond :: Package packages :: Module gdesmond_utils
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Module gdesmond_utils

Functions [hide private]
 
generate_config(ensemble, bootfile, lastime=10.0, gpu=True, dsmworkdir=None, additional_config=None)
 
parse_eneseq(filename)
 
compare_eneseq(edict1, edict2)
 
run_desmond(configfile, gpu=True, additional_config=None, verbose=False)
Variables [hide private]
  __package__ = 'schrodinger.application.desmond.packages'
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2017-2 Schrodinger Python API
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