def miss_res_atoms(res_list): miss_res_atoms=[] all_aa_lib=AllAminoAcidLib() sequence=res_list.sequence() for i,aa in enumerate(sequence): if aa=='-': continue for atom_name in all_aa_lib.aa_lib(aa).iter_atoms(): atom=Atom(atom_name,i+1) if atom.elem() not in 'CNH': continue try: res=res_list.by_atom(atom) except KeyError: try: pn=BmrbAtomNames.get_combine(aa,atom_name)[0] if pn==None: miss_res_atoms.append(atom) continue res=res_list.by_atom(Atom(pn,i+1)) except KeyError: miss_res_atoms.append(atom) return miss_res_atoms
