schrodinger.application.desmond.starter.generator.fep_solubility module¶
FEP+ solubility generator
Copyright Schrodinger, LLC. All rights reserved.
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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.