schrodinger.application.desmond.starter.generator.bpfep module¶
Binding-pose FEP generator
Copyright Schrodinger, LLC. All rights reserved.
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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