diff --git a/modules/mol/alg/pymod/lddt.py b/modules/mol/alg/pymod/lddt.py index cb5d90ccf01b3a52d37781c2dcade9e80f73d41b..92f41ec4cc97e79bf69df6b63131b1ba913edd6d 100644 --- a/modules/mol/alg/pymod/lddt.py +++ b/modules/mol/alg/pymod/lddt.py @@ -738,12 +738,6 @@ class lDDTScorer: rnums.append(None) else: rnums = [r.GetNumber() for r in ch.residues] - if sum([len(rn.GetInsCode().strip("\0")) for rn in rnums]) > 0: - raise RuntimeError( - "Residue numbers in model must not " - "contain insertion codes" - ) - rnums = [rn.GetNum() for rn in rnums] return rnums @@ -828,20 +822,9 @@ class lDDTScorer: f"chain {ch_name} has SEQRES " f"ATOMSEQ mismatch" ) - rnums.append(rnum) + rnums.append(mol.ResNum(rnum)) else: rnums = [r.GetNumber() for r in ch.residues] - if sum([len(rn.GetInsCode().strip("\0")) for rn in rnums]) > 0: - raise RuntimeError( - "Residue numbers in target must not " - "contain insertion codes" - ) - rnums = [rnum.GetNum() for rnum in rnums] - if not all(x < y for x, y in zip(rnums, rnums[1:])): - raise RuntimeError( - "Residue numbers in each target chain " - "must be monotonically increasing" - ) assert len(rnums) == len(ch.residues) residue_numbers[ch_name] = rnums return residue_numbers