diff --git a/actions/ost-compare-structures b/actions/ost-compare-structures index fc3b814bf5767f232d0a3338446eda04c0ca43ee..e91457d689304560db9771f6fc6f07a1b44796fb 100644 --- a/actions/ost-compare-structures +++ b/actions/ost-compare-structures @@ -466,7 +466,7 @@ def _ReadStructureFile(path): _RevertChainNames(entity) entities.append(entity) elif len(cif_info.biounits) > 1: - for i, biounit in enumerate(cif_info.biounits): + for i, biounit in enumerate(cif_info.biounits, 1): entity = biounit.PDBize(tmp_entity, min_polymer_size=0) if not entity.IsValid(): raise IOError( @@ -730,15 +730,21 @@ def _Main(): reference_name + opts.dump_suffix) ost.LogInfo("Saving cleaned up reference to %s" % ref_output_path) - SavePDB(qs_scorer.qs_ent_1.ent, - ref_output_path) + try: + SavePDB(qs_scorer.qs_ent_1.ent, + ref_output_path) + except Exception as ex: + ost.LogError("Cannot save reference: %s" % str(ex)) mdl_output_path = os.path.join( os.path.dirname(opts.model), model_name + opts.dump_suffix) ost.LogInfo("Saving cleaned up reference to %s" % mdl_output_path) - SavePDB(qs_scorer.qs_ent_2.ent, - mdl_output_path) + try: + SavePDB(qs_scorer.qs_ent_2.ent, + mdl_output_path) + except Exception as ex: + ost.LogError("Cannot save model: %s" % str(ex)) result["result"][model_name] = model_results if opts.output is not None: