schrodinger.application.desmond.starter.generator.abfep module

Absolute binding FEP generator

Copyright Schrodinger, LLC. All rights reserved.

schrodinger.application.desmond.starter.generator.abfep.generate(args: schrodinger.application.desmond.starter.ui.abfep.Args) → List[str]

Generate the files and a command to run multisim for the absolute binding FEP workflow.

Parameters:args – Command line arguments Returns:Command to launch a multisim job