diff --git a/modules/io/src/mol/mmcif_reader.cc b/modules/io/src/mol/mmcif_reader.cc index 98c3572256535c97e561d32623cf35e8c833ed36..bb5241e7ea511a646b1ecc4e1d097691a7e1b4c2 100644 --- a/modules/io/src/mol/mmcif_reader.cc +++ b/modules/io/src/mol/mmcif_reader.cc @@ -158,7 +158,7 @@ bool MMCifParser::OnBeginLoop(const StarLoopDesc& header) this->TryStoreIdx(E_ID, "id", header); // optional indices_[E_TYPE] = header.GetIndex("type"); - indices_[DETAILS] = header.GetIndex("details"); + indices_[PDBX_DESCRIPTION] = header.GetIndex("pdbx_description"); cat_available = true; } else if (header.GetCategory() == "entity_poly") { category_ = ENTITY_POLY; @@ -473,8 +473,8 @@ void MMCifParser::ParseEntity(const std::vector<StringRef>& columns) } // description - if (indices_[DETAILS] != -1) { - desc.details = columns[indices_[DETAILS]].str(); + if (indices_[PDBX_DESCRIPTION] != -1) { + desc.details = columns[indices_[PDBX_DESCRIPTION]].str(); } else { desc.details = ""; } diff --git a/modules/io/src/mol/mmcif_reader.hh b/modules/io/src/mol/mmcif_reader.hh index 5fe61d5c886e80a720cdef5f8aeb66e70d84115f..2d1990b809aafb0570e72ea8b60051830de7eaf0 100644 --- a/modules/io/src/mol/mmcif_reader.hh +++ b/modules/io/src/mol/mmcif_reader.hh @@ -233,7 +233,7 @@ private: typedef enum { E_ID, ///< unique identifier E_TYPE, ///< polymer, non-polymer or water - DETAILS ///< special aspects of the entity + PDBX_DESCRIPTION ///< special aspects of the entity } EntityItems; /// \enum items of the entity_poly category diff --git a/modules/io/tests/testfiles/mmcif/atom_site.mmcif b/modules/io/tests/testfiles/mmcif/atom_site.mmcif index 2dd1c2c522cc04714f005ff4aa7117209088bb92..2a01dc7331acf7b877f1035561c86d3ea3bba853 100644 --- a/modules/io/tests/testfiles/mmcif/atom_site.mmcif +++ b/modules/io/tests/testfiles/mmcif/atom_site.mmcif @@ -9,7 +9,7 @@ data_1BAR loop_ _entity.id _entity.type -_entity.details +_entity.pdbx_description 1 polymer ; Very important information. ;