schrodinger.application.desmond.membrane_utils module

schrodinger.application.desmond.membrane_utils.get_membrane_launcher_input(g: graph.Graph) → Tuple[schrodinger.structure._structure.Structure, Optional[schrodinger.structure._structure.Structure]]

Return the structures that will be used as inputs for the membrane builder workflow.

schrodinger.application.desmond.membrane_utils.align_and_update_graph(cms_fname: str, input_graph: graph.Graph, align_asl: str, additional_structures: Optional[List[schrodinger.structure._structure.Structure]] = None)

Update and align the input graph in addition to optionally aligning additional_structures with the output from the membrane building and relaxation workflow.