def find_ca_of_resname(atoms, resname): for atom in atoms: if pdbatoms.split_tag(resname) == \ (atom.chain_id, atom.res_num, atom.res_insert): if "CA" == atom.type: return atom raise IndexError, "Can't find atom %s" % resname
def pymol_id_from_res_tag(tag): chain_id, res_num, insert = pdbatoms.split_tag(tag) if chain_id == " ": return "resi %d" % res_num else: return "(chain %s and resi %d%s)" % (chain_id, res_num, insert)