schrodinger.application.desmond.msj_generator.fep.covalent_ligand module

class schrodinger.application.desmond.msj_generator.fep.covalent_ligand.CovalentMsjGenerator(jobname: str, cd_params: Dict[str, object], **kwargs)

Bases: schrodinger.application.desmond.msj_generator.common.FepBaseMsjGenerator

WorkflowParamsCls

alias of schrodinger.application.desmond.msj_generator.workflow_params.MapperWorkflowParams

__init__(jobname: str, cd_params: Dict[str, object], **kwargs)

property fep_type

modify_graph_stage(msj: schrodinger.application.desmond.multisim.parser.Msj)

Use FepMapper stage for covalent FEP jobs, deprecate CovalentFepMapper stage.