MHCXGraph.core.contact_map¶
- MHCXGraph.core.contact_map.contact_map_from_graph(G, *, granularity: str, exclude_kinds: Iterable[str] = ('water',), fallback_to_centroid: bool = True) tuple[ndarray, list[str], dict[tuple[str, str], int], dict[tuple[str, str, str], int]][source]¶
- Returns:
contact_map (NxN) node_order (list of node_ids) residue_map_dict: (chain_id, residue_number) -> idx residue_map_dict_all: (chain_id, residue_number, residue_name) -> idx
Functions¶
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