schrodinger.application.desmond.starter.generator.bpfep module

Binding-pose FEP generator

Copyright Schrodinger, LLC. All rights reserved.

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

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

Parameters

args – Command line arguments

Returns

Command to launch a multisim job