qp.cluster.spheres.cap_chains

qp.cluster.spheres.cap_chains(model: Bio.PDB.Model.Model, residues: Set[Bio.PDB.Residue.Residue], capping: int) → Set[Bio.PDB.Residue.Residue][source]

Cap chain breaks for a set of extracted residues

Parameters:

  • model (Bio.PDB.Model) – Protein structure model

  • residues (set) – Set of residues

  • capping (int) – Flag for capping group, H (1) or ACE/NME (2)

Returns:

cap_residues – Set of residues containing added groups

Return type:

set