MHCXGraph.core.subgraphs.extract_interface_subgraph

MHCXGraph.core.subgraphs.extract_interface_subgraph(g: Graph, interface_list: list[str] | None = None, chain_list: list[str] | None = None, filter_dataframe: bool = True, update_coords: bool = True, recompute_distmat: bool = False, inverse: bool = False, return_node_list: bool = False) → Graph | list[str] | None

Select nodes at chain-chain interfaces.

Parameters:

• g (nx.Graph) – Input graph.

• interface_list (list of str, optional) – Allowed chain pair labels (e.g., [“AB”,”BC”]). If None, any pairwise inter-chain contact qualifies.

• chain_list (list of str, optional) – Restrict to interactions among these chains.

• filter_dataframe – See extract_subgraph_from_node_list().

• update_coords – See extract_subgraph_from_node_list().

• recompute_distmat – See extract_subgraph_from_node_list().

• inverse – See extract_subgraph_from_node_list().

• return_node_list – See extract_subgraph_from_node_list().

Returns:

Subgraph or node list.

Return type:

nx.Graph or list of str