Supporting Data mmcif_ma.dic
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Dictionary Revision History
| Version | Revision Date | Revision Description | |
|---|---|---|---|
| 1.4.7 | 2024-12-16 | Changes (bv) + Include entity_branch-extension.dic + Update mmcif_ma-data.dic + Update enumerations for _ma_associated_archive_file_details.file_format and _ma_template_details.template_entity_type + Add ma_template_branched category and _ma_target_ref_db_details.is_primary data item + Add _ma_target_ref_db_details.db_accession to the primary key of ma_target_ref_db_details + Update the category description of ma_qa_metric_local_pairwise + Deprecate _ma_model_list.model_id in favor of _ma_model_list.ordinal_id and make _ma_model_list.model_id not mandatory + Update parent-child relationships of all child data items pointing to _ma_model_list.model_id to point to _ma_model_list.ordinal_id + Deprecate _ma_model_list.model_group_id and _ma_model_list.model_group_name + Add ma_model_group, ma_model_group_link, ma_model_representative + Update enumerations for _ma_qa_metric.mode and _ma_qa_metric.type + Update enumerations for _ma_associated_archive_file_details.file_content and _ma_entry_associated_files.file_content + Add ma_feature_list, ma_atom_feature, ma_poly_residue_feature, ma_entity_instance_feature + Add ma_qa_metric_feature, ma_qa_metric_feature_pairwise + Updated mmcif_pdbx_v50.dic to version 5.399 |
mmcif_ma.dic |
| 1.4.6 | 2024-01-29 | Changes (bv) + Update _item_type.code for _ma_target_ref_db_details.gene_name |
mmcif_ma.dic |
| 1.4.5 | 2023-03-06 | Changes (bv) + Add enumerations to _ma_associated_archive_file_details.file_format |
mmcif_ma.dic |
| 1.4.4 | 2022-12-21 | Changes (bv) + Added _ma_associated_archive_file_details.data_id and _ma_entry_associated_files.data_id |
mmcif_ma.dic |
| 1.4.3 | 2022-09-13 | Changes (bv) + Updated mmcif_pdbx_v50.dic to version 5.361 + Updated _item_units_list.detail for kelvins in mmcif_ma-data + Updated _item_type.code for _ma_entry_associated_files.file_url in mmcif_ma-core |
mmcif_ma.dic |
| 1.4.2 | 2022-08-09 | Changes (bv) + Updated _item_type.code for _ma_data_ref_db.name |
mmcif_ma.dic |
| 1.4.1 | 2022-05-13 | Changes (bv) + Updated enumerations for _ma_target_ref_db_details.db_name and _ma_template_ref_db_details.db_name |
mmcif_ma.dic |
| 1.4.0 | 2022-04-29 | Changes (bv) + Updated enumerations for _ma_software_parameter.data_type and _ma_data.content_type + Added ma_data_ref_db |
mmcif_ma.dic |
| 1.3.9 | 2022-04-23 | Changes (bv/sb) + Updated dictionary files organization + Updated description for _ma_template_details.template_auth_asym_id, _ma_template_details.template_label_asym_id and _ma_template_details.template_label_entity_id |
mmcif_ma.dic |
| 1.3.8 | 2022-04-12 | Changes (bv) + Added _ma_template_ref_db_details.db_version_date |
mmcif_ma.dic |
| 1.3.7 | 2022-04-11 | Changes (bv) + Updated enumerations for _ma_data.content_type and _ma_associated_archive_file_details.file_format + Added ma_chem_comp_descriptor and _chem_comp.ma_provenance + Updated _category_group_list.description |
mmcif_ma.dic |
| 1.3.6 | 2022-03-04 | Changes (bv) + Updated enumerations for _ma_qa_metric.type + Updated _category.mandatory_code for ma_model_list + Updated _item.mandatory_code for _ma_model_list.assembly_id + Updated parent-child relationships for item assembly_id in categories ma_model_list, ma_struct_assembly and ma_struct_assembly_details + Updated _item.mandatory code for _ma_template_details.template_label_entity_id and _ma_template_details.template_label_asym_id + Added _ma_template_details.template_auth_asym_id |
mmcif_ma.dic |
| 1.3.5 | 2022-02-14 | Changes (bv) + Updated _datablock.description + Updated enumerations for _ma_entry_associated_files.file_format |
mmcif_ma.dic |
| 1.3.4 | 2022-01-18 | Changes (bv) + Updated _item.mandatory_code for ma_data_group, ma_software_group |
mmcif_ma.dic |
| 1.3.3 | 2021-11-22 | Changes (bv) + Added _ma_target_ref_db_details.gene_name, _ma_target_ref_db_details.seq_db_sequence_checksum, _ma_target_ref_db_details.seq_db_sequence_version_date |
mmcif_ma.dic |
| 1.3.2 | 2021-10-27 | Changes (bv) + Updated _item.mandatory_code for _ma_qa_metric.software_group_id + Fixed typos |
mmcif_ma.dic |
| 1.3.1 | 2021-10-25 | Changes (bv) + Added ma_associated_archive_file_details |
mmcif_ma.dic |
| 1.3.0 | 2021-10-22 | Changes (bv) + Added ma_entry_associated_files |
mmcif_ma.dic |
| 1.2.9 | 2021-10-21 | Changes (bv) + Updated enumerations for _ma_qa_metric.mode |
mmcif_ma.dic |
| 1.2.8 | 2021-10-20 | Changes (bv) + Updated enumerations for _ma_target_ref_db_details.db_name |
mmcif_ma.dic |
| 1.2.7 | 2021-10-18 | Changes (bv) + Added _entry.ma_collection_id, _ma_target_ref_db_details.ncbi_taxonomy_id, _ma_target_ref_db_details.organism_scientific, ma_qa_metric_local_pairwise + Updated _item.mandatory_code for _ma_protocol_step.input_data_group_id, _ma_protocol_step.output_data_group_id, _ma_protocol_step.software_group_id + Updated enumerations for _ma_target_ref_db_details.db_name, _ma_qa_metric.type + Changed _ma_protocol_step.method_type_other_details to _ma_protocol_step.details + Updated _category_key.name for ma_target_ref_db_details |
mmcif_ma.dic |
| 1.2.6 | 2021-09-17 | Changes (bv) + Changed _ma_qa_metric_global.value to _ma_qa_metric_global.metric_value + Changed _ma_qa_metric_local.value to _ma_qa_metric_local.metric_value |
mmcif_ma.dic |
| 1.2.5 | 2020-05-21 | Changes (bv) + Changed _category.mandatory_code to no for ma_restraints_group |
mmcif_ma.dic |
| 1.2.4 | 2018-07-27 | Changes (jh/bv/jw/gt/sb) + Added _ma_template_non_poly.comp_id + Fixed syntax and typos |
mmcif_ma.dic |
| 1.2.3 | 2018-07-20 | Changes (jh/bv/jw/gt/sb) + Updated MA_POLY_TEMPLATE_LIBRARY_LIST, MA_POLY_TEMPLATE_LIBRARY_COMPONENTS |
mmcif_ma.dic |
| 1.2.2 | 2018-07-19 | Changes (jh/bv/jw/gt/sb) + Added MA_QA_METRIC, MA_QA_METRIC_GLOBAL, MA_QA_METRIC_LOCAL + Added MA_SOFTWARE_GROUP |
mmcif_ma.dic |
| 1.2.1 | 2018-07-18 | Changes (jh/bv/jw/gt/sb) + Added MA_POLY_TEMPLATE_LIBRARY_DETAILS, MA_POLY_TEMPLATE_LIBRARY_LIST + Added MA_POLY_TEMPLATE_LIBRARY_COMPONENTS + Updated _item_sub_category.id for matrices and vectors + Updated MA_SOFTWARE_PARAMETER |
mmcif_ma.dic |
| 1.2.0 | 2018-07-17 | Changes (jh/bv/jw/gt/sb) + Added MA_ALIGNMENT_INFO, MA_TARGET_ENTITY_INSTANCE + Revised MA_TEMPLATE_DETAILS, MA_TARGET_TEMPLATE_POLY_MAPPING, MA_ALIGNMENT_DETAILS |
mmcif_ma.dic |
| 1.1.9 | 2018-07-16 | Changes (jh/bv/jw/gt/sb) + Revised MA_TEMPLATE_POLY_SEGMENT, MA_TARGET_TEMPLATE_POLY_MAPPING, MA_ALIGNMENT_DETAILS |
mmcif_ma.dic |
| 1.1.8 | 2018-07-16 | Changes (jh/bv/jw/gt/sb) + Addressed requirements for coevolution MSA and predicted contacts |
mmcif_ma.dic |
| 1.1.7 | 2018-07-13 | Changes (jh/bv/jw/gt/sb) + Revised MA_TEMPLATE_DETAILS, MA_TEMPLATE_POLY_SEGMENT, MA_TEMPLATE_POLY, MA_TEMPLATE_POLY_SEGMENT + Added MA_TEMPLATE_NON_POLY, MA_TEMPLATE_CUSTOMIZED |
mmcif_ma.dic |
| 1.1.6 | 2018-07-12 | Changes (jh/bv/jw/gt/sb) + Revised MA_ALIGNMENT_DETAILS, MA_PROTOCOL_STEP, MA_TARGET_TEMPLATE_MAPPING + Added MA_SOFTWARE_PARAMETER |
mmcif_ma.dic |
| 1.1.5 | 2018-07-11 | Changes (jh/bv/jw/gt/sb) + Revised MA_TARGET_TEMPLATE_MAPPING, MA_ALIGNMENT_DETAILS, MA_TEMPLATE_DETAILS + Revised MA_PDB_TEMPLATE, MA_TEMPLATE_COORD + Added MA_TEMPLATE_POLY_SEGMENT |
mmcif_ma.dic |
| 1.1.4 | 2018-07-10 | Changes (jh/bv/jw/gt/sb) + Added MA_TARGET_TEMPLATE_MAPPING, MA_PDB_TEMPLATE_TRANS_MATRIX, MA_TARGET_STRUCT + Removed MA_STEP_CRITERIA |
mmcif_ma.dic |
| 1.1.3 | 2018-07-10 | Changes (jh/bv/jw/gt/sb) + Added MA_PDB_TEMPLATE, MA_TARGET_REF_DB_DETAILS, MA_DATA_GROUP |
mmcif_ma.dic |
| 1.1.2 | 2018-07-09 | Changes (jh/bv/jw/gt/sb) + Updated MA_MODEL_LIST, MA_STRUCT_ASSEMBLY, MA_PROTCOL_STEP + Removed MA_STEP_INPUT, MA_STEP_OUTPUT |
mmcif_ma.dic |
| 1.1.1 | 2018-07-06 | Changes (jh/bv) + Release as initial version 1.1.1 |
mmcif_ma.dic |
| 1.4.7 | 2024-12-16 | Changes (bv) + Include entity_branch-extension.dic + Update mmcif_ma-data.dic + Update enumerations for _ma_associated_archive_file_details.file_format and _ma_template_details.template_entity_type + Add ma_template_branched category and _ma_target_ref_db_details.is_primary data item + Add _ma_target_ref_db_details.db_accession to the primary key of ma_target_ref_db_details + Update the category description of ma_qa_metric_local_pairwise + Deprecate _ma_model_list.model_id in favor of _ma_model_list.ordinal_id and make _ma_model_list.model_id not mandatory + Update parent-child relationships of all child data items pointing to _ma_model_list.model_id to point to _ma_model_list.ordinal_id + Deprecate _ma_model_list.model_group_id and _ma_model_list.model_group_name + Add ma_model_group, ma_model_group_link, ma_model_representative + Update enumerations for _ma_qa_metric.mode and _ma_qa_metric.type + Update enumerations for _ma_associated_archive_file_details.file_content and _ma_entry_associated_files.file_content + Add ma_feature_list, ma_atom_feature, ma_poly_residue_feature, ma_entity_instance_feature + Add ma_qa_metric_feature, ma_qa_metric_feature_pairwise + Updated mmcif_pdbx_v50.dic to version 5.399 |
mmcif_ma.dic |
| 1.4.6 | 2024-01-29 | Changes (bv) + Update _item_type.code for _ma_target_ref_db_details.gene_name |
mmcif_ma.dic |
| 1.4.5 | 2023-03-06 | Changes (bv) + Add enumerations to _ma_associated_archive_file_details.file_format |
mmcif_ma.dic |
| 1.4.4 | 2022-12-21 | Changes (bv) + Added _ma_associated_archive_file_details.data_id and _ma_entry_associated_files.data_id |
mmcif_ma.dic |
| 1.4.3 | 2022-09-13 | Changes (bv) + Updated mmcif_pdbx_v50.dic to version 5.361 + Updated _item_units_list.detail for kelvins in mmcif_ma-data + Updated _item_type.code for _ma_entry_associated_files.file_url in mmcif_ma-core |
mmcif_ma.dic |
| 1.4.2 | 2022-08-09 | Changes (bv) + Updated _item_type.code for _ma_data_ref_db.name |
mmcif_ma.dic |
| 1.4.1 | 2022-05-13 | Changes (bv) + Updated enumerations for _ma_target_ref_db_details.db_name and _ma_template_ref_db_details.db_name |
mmcif_ma.dic |
| 1.4.0 | 2022-04-29 | Changes (bv) + Updated enumerations for _ma_software_parameter.data_type and _ma_data.content_type + Added ma_data_ref_db |
mmcif_ma.dic |
| 1.3.9 | 2022-04-23 | Changes (bv/sb) + Updated dictionary files organization + Updated description for _ma_template_details.template_auth_asym_id, _ma_template_details.template_label_asym_id and _ma_template_details.template_label_entity_id |
mmcif_ma.dic |
| 1.3.8 | 2022-04-12 | Changes (bv) + Added _ma_template_ref_db_details.db_version_date |
mmcif_ma.dic |
| 1.3.7 | 2022-04-11 | Changes (bv) + Updated enumerations for _ma_data.content_type and _ma_associated_archive_file_details.file_format + Added ma_chem_comp_descriptor and _chem_comp.ma_provenance + Updated _category_group_list.description |
mmcif_ma.dic |
| 1.3.6 | 2022-03-04 | Changes (bv) + Updated enumerations for _ma_qa_metric.type + Updated _category.mandatory_code for ma_model_list + Updated _item.mandatory_code for _ma_model_list.assembly_id + Updated parent-child relationships for item assembly_id in categories ma_model_list, ma_struct_assembly and ma_struct_assembly_details + Updated _item.mandatory code for _ma_template_details.template_label_entity_id and _ma_template_details.template_label_asym_id + Added _ma_template_details.template_auth_asym_id |
mmcif_ma.dic |
| 1.3.5 | 2022-02-14 | Changes (bv) + Updated _datablock.description + Updated enumerations for _ma_entry_associated_files.file_format |
mmcif_ma.dic |
| 1.3.4 | 2022-01-18 | Changes (bv) + Updated _item.mandatory_code for ma_data_group, ma_software_group |
mmcif_ma.dic |
| 1.3.3 | 2021-11-22 | Changes (bv) + Added _ma_target_ref_db_details.gene_name, _ma_target_ref_db_details.seq_db_sequence_checksum, _ma_target_ref_db_details.seq_db_sequence_version_date |
mmcif_ma.dic |
| 1.3.2 | 2021-10-27 | Changes (bv) + Updated _item.mandatory_code for _ma_qa_metric.software_group_id + Fixed typos |
mmcif_ma.dic |
| 1.3.1 | 2021-10-25 | Changes (bv) + Added ma_associated_archive_file_details |
mmcif_ma.dic |
| 1.3.0 | 2021-10-22 | Changes (bv) + Added ma_entry_associated_files |
mmcif_ma.dic |
| 1.2.9 | 2021-10-21 | Changes (bv) + Updated enumerations for _ma_qa_metric.mode |
mmcif_ma.dic |
| 1.2.8 | 2021-10-20 | Changes (bv) + Updated enumerations for _ma_target_ref_db_details.db_name |
mmcif_ma.dic |
| 1.2.7 | 2021-10-18 | Changes (bv) + Added _entry.ma_collection_id, _ma_target_ref_db_details.ncbi_taxonomy_id, _ma_target_ref_db_details.organism_scientific, ma_qa_metric_local_pairwise + Updated _item.mandatory_code for _ma_protocol_step.input_data_group_id, _ma_protocol_step.output_data_group_id, _ma_protocol_step.software_group_id + Updated enumerations for _ma_target_ref_db_details.db_name, _ma_qa_metric.type + Changed _ma_protocol_step.method_type_other_details to _ma_protocol_step.details + Updated _category_key.name for ma_target_ref_db_details |
mmcif_ma.dic |
| 1.2.6 | 2021-09-17 | Changes (bv) + Changed _ma_qa_metric_global.value to _ma_qa_metric_global.metric_value + Changed _ma_qa_metric_local.value to _ma_qa_metric_local.metric_value |
mmcif_ma.dic |
| 1.2.5 | 2020-05-21 | Changes (bv) + Changed _category.mandatory_code to no for ma_restraints_group |
mmcif_ma.dic |
| 1.2.4 | 2018-07-27 | Changes (jh/bv/jw/gt/sb) + Added _ma_template_non_poly.comp_id + Fixed syntax and typos |
mmcif_ma.dic |
| 1.2.3 | 2018-07-20 | Changes (jh/bv/jw/gt/sb) + Updated MA_POLY_TEMPLATE_LIBRARY_LIST, MA_POLY_TEMPLATE_LIBRARY_COMPONENTS |
mmcif_ma.dic |
| 1.2.2 | 2018-07-19 | Changes (jh/bv/jw/gt/sb) + Added MA_QA_METRIC, MA_QA_METRIC_GLOBAL, MA_QA_METRIC_LOCAL + Added MA_SOFTWARE_GROUP |
mmcif_ma.dic |
| 1.2.1 | 2018-07-18 | Changes (jh/bv/jw/gt/sb) + Added MA_POLY_TEMPLATE_LIBRARY_DETAILS, MA_POLY_TEMPLATE_LIBRARY_LIST + Added MA_POLY_TEMPLATE_LIBRARY_COMPONENTS + Updated _item_sub_category.id for matrices and vectors + Updated MA_SOFTWARE_PARAMETER |
mmcif_ma.dic |
| 1.2.0 | 2018-07-17 | Changes (jh/bv/jw/gt/sb) + Added MA_ALIGNMENT_INFO, MA_TARGET_ENTITY_INSTANCE + Revised MA_TEMPLATE_DETAILS, MA_TARGET_TEMPLATE_POLY_MAPPING, MA_ALIGNMENT_DETAILS |
mmcif_ma.dic |
| 1.1.9 | 2018-07-16 | Changes (jh/bv/jw/gt/sb) + Revised MA_TEMPLATE_POLY_SEGMENT, MA_TARGET_TEMPLATE_POLY_MAPPING, MA_ALIGNMENT_DETAILS |
mmcif_ma.dic |
| 1.1.8 | 2018-07-16 | Changes (jh/bv/jw/gt/sb) + Addressed requirements for coevolution MSA and predicted contacts |
mmcif_ma.dic |
| 1.1.7 | 2018-07-13 | Changes (jh/bv/jw/gt/sb) + Revised MA_TEMPLATE_DETAILS, MA_TEMPLATE_POLY_SEGMENT, MA_TEMPLATE_POLY, MA_TEMPLATE_POLY_SEGMENT + Added MA_TEMPLATE_NON_POLY, MA_TEMPLATE_CUSTOMIZED |
mmcif_ma.dic |
| 1.1.6 | 2018-07-12 | Changes (jh/bv/jw/gt/sb) + Revised MA_ALIGNMENT_DETAILS, MA_PROTOCOL_STEP, MA_TARGET_TEMPLATE_MAPPING + Added MA_SOFTWARE_PARAMETER |
mmcif_ma.dic |
| 1.1.5 | 2018-07-11 | Changes (jh/bv/jw/gt/sb) + Revised MA_TARGET_TEMPLATE_MAPPING, MA_ALIGNMENT_DETAILS, MA_TEMPLATE_DETAILS + Revised MA_PDB_TEMPLATE, MA_TEMPLATE_COORD + Added MA_TEMPLATE_POLY_SEGMENT |
mmcif_ma.dic |
| 1.1.4 | 2018-07-10 | Changes (jh/bv/jw/gt/sb) + Added MA_TARGET_TEMPLATE_MAPPING, MA_PDB_TEMPLATE_TRANS_MATRIX, MA_TARGET_STRUCT + Removed MA_STEP_CRITERIA |
mmcif_ma.dic |
| 1.1.3 | 2018-07-10 | Changes (jh/bv/jw/gt/sb) + Added MA_PDB_TEMPLATE, MA_TARGET_REF_DB_DETAILS, MA_DATA_GROUP |
mmcif_ma.dic |
| 1.1.2 | 2018-07-09 | Changes (jh/bv/jw/gt/sb) + Updated MA_MODEL_LIST, MA_STRUCT_ASSEMBLY, MA_PROTCOL_STEP + Removed MA_STEP_INPUT, MA_STEP_OUTPUT |
mmcif_ma.dic |
| 1.1.1 | 2018-07-06 | Changes (jh/bv) + Release as initial version 1.1.1 |
mmcif_ma.dic |
Data Type List
| Data Type Code | Primitive Type Code | Regular Expression | Description |
|---|---|---|---|
| 3x4_matrices | char | (((([ \t]*-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? +){3})?(-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? *\n([\t ]*\n)*)){3})*((([ \t]*-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? +){3})?(-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? *\n([\t ]*\n)*)){2}((([ \t]*-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? +){3})(-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? *\n?([\t ]*\n)*))[ \t]* | A set of 3x4 matrices separated by spaces and newlines on each line. Final newline optional. Optional spaces at start of lines. Blank lines accepted. |
| 3x4_matrix | char | ((([ \t]*-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? +){3})?(-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? *\n([\t ]*\n)*)){2}((([ \t]*-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? +){3})(-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? *\n?([\t ]*\n)*))[ \t]* | A 3x4 matrix separated by spaces and newlines on each line. Final newline optional. Optional spaces at start of lines. Blank lines accepted. |
| any | char | .* | A catch all for items that may take any form... |
| asym_id | char | [A-Za-z0-9]+ | A single chain or asym ids. |
| atcode | char | [][ _(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]* | Character data type for atom names ... |
| author | char | (([A-Za-z0-9_]+(( |-|'|\. )[A-Za-z0-9_]+)*( Jr.| III)?, [A-Za-z0-9_]\.(-?[A-Za-z0-9_]+\.)*)|(Seattle Structural Genomics Center for Infectious Disease.*)|(Structural Genomics Consortium.*)|(QCRG Structural Biology Consortium.*)|(Center for Structural Genomics of Infectious Diseases.*)|(Center for Structural Biology of Infectious Diseases.*)) | Author name in PDB format: Taylor, C.A. |
| binary | char | \n--CIF-BINARY-FORMAT-SECTION--\n\ [][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*\ \n--CIF-BINARY-FORMAT-SECTION---- |
binary items are presented as MIME-like ascii-encoded sections in an imgCIF. In a CBF, raw octet streams are used to convey the same information. |
| boolean | char | YES|NO | Boolean type |
| citation_doi | char | 10\..* | Citation DOI specification. |
| code | char | [][_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]* | code item types/single words ... |
| code30 | char | .?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.? | A string value, not allowed to exceed 30 characters. |
| date_dep | char | ([1-9][0-9](([02468][048])|([13579][26]))-02-29)|[1-9][0-9][0-9][0-9]-((((0[1-9])|(1[0-2]))-((0[1-9])|(1[0-9])|(2[0-8])))|((((0[13578])|(1[02]))-31)|(((0[1,3-9])|(1[0-2]))-(29|30)))) | Deposition specific date with better checking |
| deposition_email | uchar | [a-zA-Z0-9_.+-]+@[a-zA-Z0-9-]+\.[a-zA-Z0-9.-]+ | code item types/single words (case insensitive) ... |
| ec-type | char | ([1-7]((.[1-9][0-9]?)|(.-))((.[1-9][0-9]?)|(.-))((.[1-9][0-9]?[0-9]?)|(.-)))(([ ]*,[ ]*)([1-7]((.[1-9][0-9]?)|(.-))((.[1-9][0-9]?)|(.-))((.[1-9][0-9]?[0-9]?)|(.-))))* | Approximate format of Enzyme Commission EC number. 1.2.3.4 with optional parts. |
| uchar | [_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]* | code item types/single words (case insensitive) ... | |
| emd_id | char | EMD-[0-9]{4,} | EMDB code |
| entity_id_list | uchar | [0-9A-Za-z]+(,[0-9A-Za-z]+)* | comma separated alphanumeric codes (no spaces) ... |
| exp_data_doi | char | 10\.[0-9]{4,9}/[-._;()/:A-Za-z0-9]+ | Experimental dataset DOI |
| fax | uchar | [_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]* | code item types/single words (case insensitive) ... |
| float | numb | -?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? | float item types are the subset of numbers that are the floating numbers. |
| float-range | numb | -?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?(--?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?)? | int item types are the subset of numbers that are the floating numbers. |
| id_list | char | [A-Za-z0-9]+(,[A-Za-z0-9]+)* | A list of comma separated chain or asym ids. |
| id_list_spc | char | [ \t]*[A-Za-z0-9]+([ \t]*,[ \t]*[A-Za-z0-9]+)*[ \t]* | A list of comma separated chain or asym ids with optional spaces. |
| idname | uchar | [_A-Za-z0-9]+ | idname item types take the form... |
| int | numb | [+-]?[0-9]+ | int item types are the subset of numbers that are the negative or positive integers. |
| int-range | numb | [+-]?[0-9]+-[+-]?[0-9]+ | range of integer item types are the subset of numbers that are the negative or positive integers. |
| int_list | uchar | [1-9][0-9]*(,[1-9][0-9]*)* | comma separated list of positive integers (no spaces) ... |
| line | char | [][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]* | char item types / multi-word items ... |
| name | uchar | _[_A-Za-z0-9]+\.[][_A-Za-z0-9%-]+ | name item types take the form... |
| operation_expression | char | [][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]* | sequence of parenthetical integer ranges and character codes |
| orcid_id | char | [0-9]{4}-[0-9]{4}-[0-9]{4}-([0-9]{3}X|[0-9]{4}) | ORCID pattern - dddd-dddd-dddd-dddd|dddX |
| pdb_id | char | ([1-9][A-Z0-9]{3}|PDB_[A-Z0-9]{8}) | PDB code (upper cases) |
| pdb_id_u | uchar | ([1-9][A-Za-z0-9]{3}|[Pp][Dd][Bb]_[A-Za-z0-9]{8}) | PDB code (case insensitive) |
| pdbx_PDB_obsoleted_db_id | char | [0-9][0-9a-zA-Z]{3}( [0-9][0-9a-zA-Z]{3})* | List of PDB ids for obsoletion - space separated |
| pdbx_related_db_id | char | [][_.:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]* | code item types/single words without semi-colon or comma ... |
| phone | uchar | [_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]* | code item types/single words (case insensitive) ... |
| point_group | char | (C[1-9][0-9]*|D[2-9]|D[1-9][0-9]+|O|T|I) | Point group symmetry in Schoenflies notation |
| point_group_helical | char | [CD][1-9][0-9]* | Point group symmetry for helices in Schoenflies notation |
| point_symmetry | char | [CD][1-9]|[CD][1-9][0-9]*|T|O|I | Encodes point symmetry as Cn, Dn, T, O, or I (case sensitive), where n is a positive integer. |
| positive_int | numb | [1-9][0-9]* | Positive integers (1,2,3,..) |
| seq-one-letter-code | char | (([\nUGPAVLIMCFYWHKRQNEDSTX]+)?|(\([0-9A-Z][0-9A-Z]?[0-9A-Z]?\))?)+ | One letter code sequence supporting parenthetical modified residues with 3-letter codes |
| sequence_dep | char | [a-zA-Z0-9\t \r\n\v\f\(\)]+$ | Deposition specific one letter code |
| symmetry_operation | char | [-+0-9XxYyZ/ ]+,[-+0-9XxYyZ/ ]+,[-+0-9XxYyZ/ ]+ | Allowed characters for use in symmetry operation such as 1/2-x,y,1/2-z |
| symop | char | ([1-9]|[1-9][0-9]|1[0-8][0-9]|19[0-2])(_[1-9][1-9][1-9])? | symop item types take the form n_klm, where n refers to the symmetry operation that is applied to the coordinates in the ATOM_SITE category identified by _atom_site_label. It must match a number given in _symmetry_equiv_pos_site_id. k, l, and m refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used. These translations (x,y,z) are related to (k,l,m) by k = 5 + x l = 5 + y m = 5 + z By adding 5 to the translations, the use of negative numbers is avoided. |
| text | char | [][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]* | text item types / multi-line text ... |
| uchar1 | uchar | [+]?[A-Za-z0-9] | data item for 1 character codes |
| uchar3 | uchar | [+]?[A-Za-z0-9][A-Za-z0-9]?[A-Za-z0-9]? | data item for 3 character codes |
| uchar5 | uchar | [+]?[A-Za-z0-9][A-Za-z0-9]?[A-Za-z0-9]?[A-Za-z0-9]?[A-Za-z0-9]? | data item for 5 character codes |
| ucode | uchar | [][_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]* | code item types/single words (case insensitive) ... |
| ucode-alphanum-csv | uchar | [A-Za-z0-9]+(,[A-Za-z0-9]+)? | comma separated alpha numeric codes (single words) (case insensitive) ... |
| uline | uchar | [][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]* | char item types / multi-word items (case insensitive)... |
| yyyy-mm-dd | char | [0-9]?[0-9]?[0-9][0-9]-[0-9]?[0-9]-[0-9][0-9] | Standard format for CIF dates. |
| yyyy-mm-dd:hh:mm | char | [0-9]?[0-9]?[0-9][0-9]-[0-9]?[0-9](-[0-9]?[0-9])?(:[0-9]?[0-9]:[0-9][0-9])? | Standard format for CIF dates with optional time stamp. |
| yyyy-mm-dd:hh:mm-flex | char | [0-9][0-9][0-9][0-9](-[0-9]?[0-9])?(-[0-9][0-9])?(:[0-9]?[0-9]:[0-9][0-9])? | Flexible date-time format. |
SubCategory List
| SubCategory Identifier | Description |
|---|---|
| cartesian_coordinate | The collection of x, y, and z components of a position specified with reference to a Cartesian (orthogonal angstrom) coordinate system. |
| cartesian_coordinate_esd | The collection of estimated standard deviations of the x, y, and z components of a position specified with reference to a Cartesian (orthogonal angstrom) coordinate system. |
| cell_angle | The collection of alpha, beta, and gamma angles of a unit cell. |
| cell_angle_esd | The collection of estimated standard deviations of the alpha, beta, and gamma angles of a unit cell. |
| cell_length | The collection of a, b, and c axis lengths of a unit cell. |
| cell_length_esd | The collection of estimated standard deviations of the a, b, and c axis lengths of a unit cell. |
| eigendecomposition | The collection of items making up the Eigendecomposition of a matrix. For an n x n matrix, instances of this subcategory will consist of n Eigenvectors of dimension n, and n Eigenvalues. |
| fractional_coordinate | The collection of x, y, and z components of a position specified with reference to unit cell directions. |
| fractional_coordinate_esd | The collection of estimated standard deviations of the x, y, and z components of a position specified with reference to unit cell directions. |
| matrix | The collection of elements of a matrix. |
| miller_index | The collection of h, k, and l components of the Miller index of a reflection. |
| mm_atom_site_auth_label | The collection of asym id, atom id, comp id and seq id components of an author's alternative specification for a macromolecular atom site. |
| mm_atom_site_label | The collection of alt id, asym id, atom id, comp id and seq id components of the label for a macromolecular atom site. |
| unit_vector | The collection of elements of a vector whose norm equals 1. |
| vector | The collection of elements of a vector. |
Units List
| Units Identifier | Description |
|---|---|
| 8pi2_angstroms_squared | 8pi2 * angstroms squared (metres * 10(-10))2 |
| angstroms | angstroms (metres * 10(-10)) |
| angstroms_cubed | angstroms cubed (metres * 10(-10))3 |
| angstroms_degrees | angstroms * degrees |
| angstroms_squared | angstroms squared (metres * 10(-10))2 |
| arbitrary | arbitrary system of units. |
| celsius | degrees (of temperature) Celsius |
| centimetres | centimetres (metres * 10( -2)) |
| counts | counts |
| counts_per_photon | counts per photon |
| degrees | degrees (of arc) |
| degrees_per_minute | degrees (of arc) per minute |
| degrees_squared | degrees squared |
| electron_volts | electron volts |
| electrons | electrons |
| electrons_angstrom_squared | electrons square angstrom |
| electrons_per_angstroms_cubed | electrons per angstroms cubed (electrons/(metres * 10(-10))(-3)) |
| electrons_per_nanometres_cubed | electrons per nanometres cubed (electrons/(metres * 10( -9))(-3)) |
| electrons_per_picometres_cubed | electrons per picometres cubed (electrons/(metres * 10(-12))(-3)) |
| electrons_squared | electrons squared |
| femtometres | femtometres (metres * 10(-15)) |
| femtoseconds | femtoseconds (seconds * 10( -15)) |
| gigapascals | gigapascals |
| hertz | reciprocal seconds |
| hours | hours |
| ions_per_cm_squared_per_sec | ions per centimetre squared per second (ions/(meters * 10(-2))(-2)/second) |
| joules | Joules |
| kelvins | temperature in Kelvin |
| kilodaltons | kilodaltons |
| kilodaltons/nanometer | kilodaltons/nanometer |
| kiloelectron_volts | KeV (electron volts * 10( 3)) |
| kilopascals | kilopascals |
| kilovolts | kilovolts |
| kilowatts | kilowatts |
| megadaltons | megadaltons |
| megagrams_per_cubic_metre | megagrams per cubic metre |
| metres | metres (metres) |
| mg_per_ml | milliliter per milligram |
| microjoules | joules * 10( -6) |
| microliters_per_min | microliters per minute |
| micrometres | micrometres (metres * 10( -6)) |
| micrometres_squared | micrometres squared (metres * 10( -6))2 |
| microns | micrometres (metres * 10( -6)) |
| microns_squared | micrometres squared (metres * 10( -6))2 |
| microseconds | microseconds (seconds * 10( -6)) |
| milliamperes | milliamperes |
| milligrams | grams / 1000 |
| milliliters | liter / 1000 |
| millimetres | millimetres (metres * 10( -3)) |
| millimolar | millimolar |
| milliradians | milliradians (of arc) |
| minutes | minutes |
| ml_per_min | milliliters per minute |
| nanometers | nanometers (metres * 10( -9)) |
| nanometres | nanometres (metres * 10( -9)) |
| nanometres_cubed | nanometres cubed (metres * 10( -9))3 |
| nanometres_squared | nanometres squared (metres * 10( -9))2 |
| pascals | pascals |
| picometres | picometres (metres * 10(-12)) |
| picometres_cubed | picometres cubed (metres * 10(-12))3 |
| picometres_squared | picometres squared (metres * 10(-12))2 |
| pixels_per_millimetre | pixels per millimetre |
| reciprocal_angstroms | reciprocal angstroms ((metres * 10(-10))(-1)) |
| reciprocal_centimetres | reciprocal centimetres ((metres * 10( -2))(-1)) |
| reciprocal_metres | reciprocal metres (metres(-1)) |
| reciprocal_millimetres | reciprocal millimetres ((metres * 10( -3))(-1)) |
| reciprocal_nanometres | reciprocal nanometres ((metres * 10( -9))(-1)) |
| reciprocal_picometres | reciprocal picometres ((metres * 10(-12))(-1)) |
| seconds | seconds |
| teraphotons_per_pulse | (photons * 10( 12)) per pulse |
| volts | volts |
Units Conversion List
| From Units&Identifier | To Units&Identifier | Operator | Conversion Factor |
|---|---|---|---|
| metres | centimetres | * | 1.0E+02 |
| metres | millimetres | * | 1.0E+03 |
| metres | nanometres | * | 1.0E+09 |
| metres | angstroms | * | 1.0E+10 |
| metres | picometres | * | 1.0E+12 |
| metres | femtometres | * | 1.0E+15 |
| centimetres | millimetres | * | 1.0E+01 |
| centimetres | nanometres | * | 1.0E+07 |
| centimetres | angstroms | * | 1.0E+08 |
| centimetres | picometres | * | 1.0E+10 |
| centimetres | femtometres | * | 1.0E+13 |
| millimetres | centimetres | * | 1.0E-01 |
| millimetres | nanometres | * | 1.0E+06 |
| millimetres | angstroms | * | 1.0E+07 |
| millimetres | picometres | * | 1.0E+09 |
| millimetres | femtometres | * | 1.0E+12 |
| nanometres | centimetres | * | 1.0E-07 |
| nanometres | millimetres | * | 1.0E-06 |
| nanometres | angstroms | * | 1.0E+01 |
| nanometres | picometres | * | 1.0E+03 |
| nanometres | femtometres | * | 1.0E+06 |
| angstroms | centimetres | * | 1.0E-08 |
| angstroms | millimetres | * | 1.0E-07 |
| angstroms | nanometres | * | 1.0E-01 |
| angstroms | picometres | * | 1.0E+02 |
| angstroms | femtometres | * | 1.0E+05 |
| picometres | centimetres | * | 1.0E-10 |
| picometres | millimetres | * | 1.0E-09 |
| picometres | nanometres | * | 1.0E-03 |
| picometres | angstroms | * | 1.0E-02 |
| picometres | femtometres | * | 1.0E+03 |
| femtometres | centimetres | * | 1.0E-13 |
| femtometres | millimetres | * | 1.0E-12 |
| femtometres | nanometres | * | 1.0E-06 |
| femtometres | angstroms | * | 1.0E-05 |
| femtometres | picometres | * | 1.0E-03 |
| reciprocal_centimetres | reciprocal_millimetres | * | 1.0E-01 |
| reciprocal_centimetres | reciprocal_nanometres | * | 1.0E-07 |
| reciprocal_centimetres | reciprocal_angstroms | * | 1.0E-08 |
| reciprocal_centimetres | reciprocal_picometres | * | 1.0E-10 |
| reciprocal_millimetres | reciprocal_centimetres | * | 1.0E+01 |
| reciprocal_millimetres | reciprocal_nanometres | * | 1.0E-06 |
| reciprocal_millimetres | reciprocal_angstroms | * | 1.0E-07 |
| reciprocal_millimetres | reciprocal_picometres | * | 1.0E-09 |
| reciprocal_nanometres | reciprocal_centimetres | * | 1.0E+07 |
| reciprocal_nanometres | reciprocal_millimetres | * | 1.0E+06 |
| reciprocal_nanometres | reciprocal_angstroms | * | 1.0E-01 |
| reciprocal_nanometres | reciprocal_picometres | * | 1.0E-03 |
| reciprocal_angstroms | reciprocal_centimetres | * | 1.0E+08 |
| reciprocal_angstroms | reciprocal_millimetres | * | 1.0E+07 |
| reciprocal_angstroms | reciprocal_nanometres | * | 1.0E+01 |
| reciprocal_angstroms | reciprocal_picometres | * | 1.0E-02 |
| reciprocal_picometres | reciprocal_centimetres | * | 1.0E+10 |
| reciprocal_picometres | reciprocal_millimetres | * | 1.0E+09 |
| reciprocal_picometres | reciprocal_nanometres | * | 1.0E+03 |
| reciprocal_picometres | reciprocal_angstroms | * | 1.0E+01 |
| nanometres_squared | angstroms_squared | * | 1.0E+02 |
| nanometres_squared | picometres_squared | * | 1.0E+06 |
| angstroms_squared | nanometres_squared | * | 1.0E-02 |
| angstroms_squared | picometres_squared | * | 1.0E+04 |
| angstroms_squared | 8pi2_angstroms_squared | * | 78.9568 |
| picometres_squared | nanometres_squared | * | 1.0E-06 |
| picometres_squared | angstroms_squared | * | 1.0E-04 |
| nanometres_cubed | angstroms_cubed | * | 1.0E+03 |
| nanometres_cubed | picometres_cubed | * | 1.0E+09 |
| angstroms_cubed | nanometres_cubed | * | 1.0E-03 |
| angstroms_cubed | picometres_cubed | * | 1.0E+06 |
| picometres_cubed | nanometres_cubed | * | 1.0E-09 |
| picometres_cubed | angstroms_cubed | * | 1.0E-06 |
| kilopascals | gigapascals | * | 1.0E-06 |
| gigapascals | kilopascals | * | 1.0E+06 |
| hours | minutes | * | 6.0E+01 |
| hours | seconds | * | 3.6E+03 |
| hours | microseconds | * | 3.6E+09 |
| minutes | hours | / | 6.0E+01 |
| minutes | seconds | * | 6.0E+01 |
| minutes | microseconds | * | 6.0E+07 |
| seconds | hours | / | 3.6E+03 |
| seconds | minutes | / | 6.0E+01 |
| seconds | microseconds | * | 1.0E+06 |
| microseconds | hours | / | 3.6E+09 |
| microseconds | minutes | / | 6.0E+07 |
| microseconds | seconds | / | 1.0E+06 |
| celsius | kelvins | - | 273.0 |
| kelvins | celsius | + | 273.0 |
| electrons_per_nanometres_cubed | electrons_per_angstroms_cubed | * | 1.0E+03 |
| electrons_per_nanometres_cubed | electrons_per_picometres_cubed | * | 1.0E+09 |
| electrons_per_angstroms_cubed | electrons_per_nanometres_cubed | * | 1.0E-03 |
| electrons_per_angstroms_cubed | electrons_per_picometres_cubed | * | 1.0E+06 |
| electrons_per_picometres_cubed | electrons_per_nanometres_cubed | * | 1.0E-09 |
| electrons_per_picometres_cubed | electrons_per_angstroms_cubed | * | 1.0E-06 |