deepfold.common.protein.from_relaxation

deepfold.common.protein.from_relaxation(relaxed_pdb_str: str, residue_index: ndarray | None = None, chain_index: ndarray | None = None, b_factors: ndarray | None = None) Protein[source]

Amber relaxation procedure renames residue index starting from 1. Since we may ahve cropped domains, we must fix residue indices with correct ones.

Parameters:
  • relaxed_pdb_str – a protein indices/

  • residue_index – residue indcies.

Returns:

PDB strings.