diff --git a/actions/ost-compare-structures b/actions/ost-compare-structures index f2b9a58565f630d6a7757d4e4e0f7915aca723a5..cc145d048a211fe23832fab55349bb82a0cd687e 100644 --- a/actions/ost-compare-structures +++ b/actions/ost-compare-structures @@ -654,6 +654,11 @@ def _Main(): args = _ParseArgs() try: + compute_cad = args.cad_score or args.local_cad_score + if compute_cad and not args.residue_number_alignment: + raise RuntimeError("Only support CAD score when residue numbers in " + "model and reference match. Use -rna flag if " + "this is the case.") reference = _LoadStructure(args.reference, sformat=args.reference_format, bu_idx=args.reference_biounit,