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.