schrodinger.application.desmond.packages.gdesmond_utils module¶

schrodinger.application.desmond.packages.gdesmond_utils.generate_config(ensemble, bootfile, lastime=10.0, gpu=True, dsmworkdir=None, additional_config=None)[source]¶

schrodinger.application.desmond.packages.gdesmond_utils.parse_eneseq(filename)[source]¶

schrodinger.application.desmond.packages.gdesmond_utils.compare_eneseq(edict1, edict2)[source]¶

schrodinger.application.desmond.packages.gdesmond_utils.run_desmond(configfile, gpu=True, additional_config=None, verbose=False)[source]¶