schrodinger.application.desmond.starter.ui.fep_residue_scanning module¶
FEP residue scanning command line UI
Copyright Schrodinger, LLC. All rights reserved.
- class schrodinger.application.desmond.starter.ui.fep_residue_scanning.Args(opt: argparse.Namespace)¶
Bases:
schrodinger.application.desmond.starter.ui.cmdline.BaseArgs
- SUPPORTED_OPLS_VERSIONS = (16,)¶
- property mode: schrodinger.application.desmond.constants.UiMode¶
- validate() list[str] ¶
Validate the parameters for Lambda Dynamics command line UI
- Returns
a list of error messages for invalid parameters
- schrodinger.application.desmond.starter.ui.fep_residue_scanning.ui(argv: List[str]) schrodinger.application.desmond.starter.ui.fep_residue_scanning.Args ¶
Parse the arguments and return an object containing the values.