get_contact_residues

interface.get_contact_residues(cutoff=8.5, allchains=False, chain1='A', chain2='B', excludeH=False, only_backbone_atoms=False, return_contact_pairs=False)[source]

Get contact residues represented with (chain,resSeq, resname).

Parameters
  • cutoff (float) – distance cutoff for contact calculation Defaults to 8.5.

  • allchains (bool) – calculate contacts for all chains or not. Defaults to False.

  • chain1 (str) – first chain ID. Defaults to ‘A’.

  • chain2 (str) – second chain ID. Defaults to ‘B’.

  • excludeH (bool) – Exculde hydrogen atoms for contact calculation or not. Defaults to False.

  • only_backbone_atoms (bool) – only use backbone atoms to calculate contact or not. Defaults to False.

  • return_contact_pairs (bool) – if return residue contact pairs or not. Defaults to False.

Returns

dict

(chain,resSeq,resName) of contact residues or

contact residue pairs.