diff --git a/modules/io/src/mol/mmcif_writer.cc b/modules/io/src/mol/mmcif_writer.cc index 230e4e35912174db0ce299323bc5c44380243be0..ecd5ba7d5d0b020670fd222505297c18c7c8aeda 100644 --- a/modules/io/src/mol/mmcif_writer.cc +++ b/modules/io/src/mol/mmcif_writer.cc @@ -713,7 +713,13 @@ namespace { for(auto res: res_list) { int num = res.GetNumber().GetNum(); if(num < 1) { - throw "asdf"; + std::stringstream ss; + ss << "Try to construct mmCIF entity from residues using resnum "; + ss << "based alignments. Negative residue numbers are not allowed "; + ss << "in this case. Got: " << num << " in residue " << res; + ss << ". You may set mmcif_conform flag to False to write something "; + ss << "but be aware of the consequences..."; + throw ost::io::IOException(ss.str()); } res_mon_ids.push_back(res.GetName()); resnums.push_back(num);