schrodinger.application.desmond.starter.generator.fep_solubility module

FEP+ solubility generator

Copyright Schrodinger, LLC. All rights reserved.

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

Generate the files and command line to run multisim for the solubility workflow.

Parameters:args – Object with input arguments.
Returns:Command line to launch multisim
Raises:SystemExit – If preparing the job without launching it.