schrodinger.application.desmond.membrane_utils module¶
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schrodinger.application.desmond.membrane_utils.
get_membrane_launcher_input
(g: graph.Graph) → Tuple[schrodinger.structure._structure.Structure, Optional[schrodinger.structure._structure.Structure]][source]¶ Return the structures that will be used as inputs for the membrane builder workflow.
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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)[source]¶ Update and align the input graph in addition to optionally aligning additional_structures with the output from the membrane building and relaxation workflow.