bis_protein_structure.CROSSLINK.calculate_calpha_distogram

bis_protein_structure.CROSSLINK.calculate_calpha_distogram(chain_id, chain, residue_dict)

Calculates the C-alpha distogram for a protein chain.

Parameters:

• chain_id (str) – Chain identifier.

• chain (Bio.PDB.Chain) – Chain object from the parsed structure.

• residue_dict (dict) – Dictionary mapping chain IDs to residues and their positions.

Returns:

• residue_length (int) – Number of residues in the chain.

• distogram (numpy.ndarray) – A 2D matrix representing the pairwise C-alpha distances.