Supporting Data mmcif_rcsb_nmr.dic
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Dictionary Revision History
| Version | Revision Date | Revision Description | |
|---|---|---|---|
| 1.0021 | 2011-11-28 | Changes (jdw): + Restore provisional data data items: _pdbx_reference_entity_instances.PDB_chain_id_list _pdbx_reference_entity_instances.PDB_residue_number _pdbx_reference_entity_list.component _pdbx_reference_entity_link.component_1 _pdbx_reference_entity_link.component_2 _pdbx_reference_entity_link.nonpoly_res_num_1 _pdbx_reference_entity_link.nonpoly_res_num_2 _pdbx_reference_entity_link.link_class _pdbx_reference_entity_poly_nstd_link.component _pdbx_reference_entity_poly_nstd_link.insert_code_1 _pdbx_reference_entity_poly_nstd_link.insert_code_2 _pdbx_reference_entity_poly_seq.parent_mon_id _pdbx_reference_entity_poly_seq.insert_code _pdbx_reference_entity_poly_seq.modification_details |
mmcif_rcsb_nmr.dic |
| 1.0020 | 2011-04-27 | Changes: (jdw): + update enumeration _exptl.method |
mmcif_rcsb_nmr.dic |
| 1.0019 | 2011-04-19 | Changes: (jdw): + Add item _pdbx_reference_entity_poly_seq.modification_details |
mmcif_rcsb_nmr.dic |
| 1.0018 | 2011-04-08 | Changes: (jdw): + Added items - _pdbx_reference_entity_link.component_1 _pdbx_reference_entity_link.component_2 _pdbx_reference_entity_poly_nstd_link.component _pdbx_reference_entity_instances.PDB_residue_number _pdbx_reference_entity_instances.PDB_chain_id_list _pdbx_reference_entity_poly_seq.hetero |
mmcif_rcsb_nmr.dic |
| 1.0017 | 2011-04-07 | Changes: (jdw): + Added items - _pdbx_reference_entity_list.component _pdbx_reference_entity_entity_link.link_class _pdbx_reference_entity_entity_link.entity_seq_num_1 _pdbx_reference_entity_entity_link.nonpoly_res_num_1 _pdbx_reference_entity_entity_link.entity_seq_num_2 _pdbx_reference_entity_entity_link.nonpoly_res_num_2 |
mmcif_rcsb_nmr.dic |
| 1.0016 | 2011-04-06 | Changes (jdw): + Synchronized with version 4 of PDBx dictionary. |
mmcif_rcsb_nmr.dic |
| 1.0015 | 2011-02-21 | Changes (jdw): + Added categories pdbx_entity_group and pdbx_entity_group_components |
mmcif_rcsb_nmr.dic |
| 1.0014 | 2011-02-03 | Changes (jdw): + Removed _chem_comp.type 'Iso-peptide linking' enumeration and replaced this with - 'L-gamma-peptide, C-delta linking', 'D-gamma-peptide, C-delta linking', 'L-beta-peptide, C-gamma linking', and 'D-beta-peptide, C-gamma linking'. |
mmcif_rcsb_nmr.dic |
| 1.0013 | 2011-01-25 | Changes (jdw): + Added new category pdbx_struct_comp_nstd_link. + Added _chem_comp.type 'Iso-peptide linking' enumeration. |
mmcif_rcsb_nmr.dic |
| 1.0012 | 2009-10-27 | Changes (jdw): + Add _pdbx_validate_planes.type enumerations for 'SIDE CHAIN' and 'MAIN CHAIN' and deprecate values that contained underscores (e.g. MAIN_CHAIN). + Added _pdbx_remediation_atom_site_mapping.auth_alt_id,_pdbx_remediation_atom_site_mapping.auth_asym_id, _pdbx_remediation_atom_site_mapping.auth_atom_id,_pdbx_remediation_atom_site_mapping.auth_comp_id, _pdbx_remediation_atom_site_mapping.auth_seq_id |
mmcif_rcsb_nmr.dic |
| 1.0009 | 2009-06-02 | Changes (jdw): + synchronize version with x-ray internal dictionary. + Add category pdbx_remediation_atom_site_mapping + update internal tables of link relationships |
mmcif_rcsb_nmr.dic |
| 0.9982 | 2008-12-17 | Changes (jdw): + update enumerations for _rcsb_nmr_software.classification |
mmcif_rcsb_nmr.dic |
| 0.9981 | 2008-10-04 | Changes (jdw): + add _rcsb_nmr_exptl_sample.concentration_range |
mmcif_rcsb_nmr.dic |
| 0.998 | 2008-10-03 | Changes (jdw): + add _software.pdbx_ordinal and _rcsb_nmr_software.ordinal and make these category keys in these categories. + set _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id type to line |
mmcif_rcsb_nmr.dic |
| 0.994 | 2008-09-04 | Changes: (jdw) + Removed item_linked constraints on author identifiers and residue ranges in pdbx_refine_tls_group. Residue ranges treated as author provided parameters used for program input not necessarily corresponding to observed residues in the deposited entry. + Added _pdbx_refine_tls_group.selection_details to capture text description of TLS selection group. + Simplified category key for struct_ncs_dom_lim. + Added struct_ncs_dom_lim.selection_details + Updated examples for _exptl.method |
mmcif_rcsb_nmr.dic |
| 0.993 | 2008-09-03 | Roll-up changes related to NMR: (jdw): + Add category pdbx_struct_chem_comp_feature + Add _pdbx_entity_annotation.source, _pdbx_chem_comp_feature.support + Make _pdbx_entity_annotation.text part of category key + Update centers in pdbx_sg_project + Add enumerations for antibiotics to _entity.type and _entity_poly.type + Add _ndb_poly_seq_scheme.hetero |
mmcif_rcsb_nmr.dic |
| 0.990 | 2008-07-23 | Changes: (jdw): + _pdbx_nmr_refine.method made optional + adjust data type ec-type + add _chem_comp_atom.pdbx_component_atom_id + add _chem_comp_atom.pdbx_component_comp_id + add _chem_comp_atom.pdbx_subcomponent_list + added _pdbx_chem_comp_feature.comp_id, _pdbx_chem_comp_feature.type, _pdbx_chem_comp_feature.value and _pdbx_chem_comp_feature.source + _chem_comp.type added enumeration - 'peptide-like' + add missing definitions. + added _pdbx_coordinate_model.asym_id and _pdbx_coordinate_model.type |
mmcif_rcsb_nmr.dic |
| 0.988 | 2008-07-18 | Changes: (jdw): Added - _struct.pdbx_model_type_details |
mmcif_rcsb_nmr.dic |
| 0.987 | 2008-06-09 | Changes: (jdw) + Removed parent child constraints from items - _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.end_label_asym_id |
mmcif_rcsb_nmr.dic |
| 0.986 | 2008-05-29 | Changes: (jdw) + This dictionary is the first version supporting PDB V3.2 + Added- _refine_ls_restr_ncs.pdb_ens_id, _struct_ncs_dom.pdbx_ens_id, _struct_ncs_dom_lim.pdbx_ens_id to category keys - |
mmcif_rcsb_nmr.dic |
| 0.985 | 2008-05-29 | Changes: (jdw) + Added- _refine_ls_restr_ncs.pdb_ens_id, _struct_ncs_dom.pdbx_ens_id, _struct_ncs_dom_lim.pdbx_ens_id. + Removed parent-child references to the atom_site category from categories pdbx_unobs_or_zero_occ_atoms/residues. |
mmcif_rcsb_nmr.dic |
| 0.984 | 2008-03-03 | Changes: (zf) + Added 'Seattle Structural Genomics Center for Infectious Disease' + fix category id typo. |
mmcif_rcsb_nmr.dic |
| 0.983 | 2008-02-10 | Changes: (jw): + Added contributed item from Acta Cryst. editors by way of Brian McMahon, _reflns.pdbx_d_opt. |
mmcif_rcsb_nmr.dic |
| 0.982 | 2008-01-09 | Changes: (jw,zf) + Added _entity_poly.rcsb_build_self_reference, _refine.pdbx_overall_phase_error and _refine_ls_shell.pdbx_phase_error + Added contributed item from Howard Einsphar and Manfred Weiss - _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all |
mmcif_rcsb_nmr.dic |
| 0.981 | 2007-09-27 | Changes: (zf) + Add enumeration values: 'Icosahedral virus', 'Helical virus' and SPLICING |
mmcif_rcsb_nmr.dic |
| 0.980 | 2007-08-24 | Changes: (jdw/zf) + Add categories pdbx_struct_ref_seq_insertion and pdbx_struct_ref_seq_deletion. |
mmcif_rcsb_nmr.dic |
| 0.979 | 2007-08-14 | Changes: (jdw/kh/zf) + Replace ebi_validate_* categories with pdbx_validate_* categories including categories describing planar deviations. These categories provide placeholder definitions for mapping PDB REMARK 500 validation data and other PDB remarks - Added categories: pdbx_validate_close_contact,pdbx_validate_symm_contact,pdbx_validate_rmsd_bond, pdbx_validate_rmsd_angle,pdbx_validate_torsion,pdbx_validate_peptide_omega, pdbx_validate_chiral,pdbx_validate_planes,pdbx_validate_planes_atom, pdbx_validate_main_chain_plane, pdbx_struct_conn_angle, pdbx_unobs_or_zero_occ_residues pdbx_unobs_or_zero_occ_atoms, pdbx_struct_mod_residue and pdbx_entry_details. + Add 'identity operation' to enums for _pdbx_struct_oper_list.type + _chem_comp.pdbx_processing_site added. |
mmcif_rcsb_nmr.dic |
| 0.977 | 2007-05-28 | Changes: (jdw) Adjust data types for parent-child consistency. |
mmcif_rcsb_nmr.dic |
| 0.976 | 2007-05-24 | Changes: (jdw) _atom_site.ndb_model_num,_struct_conf.ndb_length,ndb_poly_seq_scheme.ndb_seq_num made ints. |
mmcif_rcsb_nmr.dic |
| 0.975 | 2007-04-26 | Changes: (zk) Changed the enumeration list for _struct_keywords.ndb_keywords |
mmcif_rcsb_nmr.dic |
| 0.974 | 2007-04-18 | Changes: (zk) Changed _rcsb_nmr_representative.conformer_id data type from 'int' to 'line' |
mmcif_rcsb_nmr.dic |
| 0.973 | 2007-04-16 | Changes: (jw) Add category rcsb_sequence_annotation to collect ncbi taxids by chain id. |
mmcif_rcsb_nmr.dic |
| 0.972 | 2007-04-04 | Changes: (jw) Adjust category key for RCSB_VERSION category. Update definition of _pdbx_struct_oper_list.id |
mmcif_rcsb_nmr.dic |
| 0.971 | 2007-02-02 | Changes: (jw) Add RCSB_VERSION category. |
mmcif_rcsb_nmr.dic |
| 0.970 | 2007-01-15 | Changes: (jw) Provide complete category key for ndb_poly_seq_scheme category. |
mmcif_rcsb_nmr.dic |
| 0.966 | 2006-11-13 | Changes: (zf) removed 'New York Structural Genomics Research Consortium' from enumeration list |
mmcif_rcsb_nmr.dic |
| 0.965 | 2006-10-16 | Changes: (jdw) Change key in pdbx_chem_comp_diagnostics to ordinal. |
mmcif_rcsb_nmr.dic |
| 0.963 | 2006-10-13 | Changes: (jdw) Added category pdbx_chem_comp_protonation_site |
mmcif_rcsb_nmr.dic |
| 0.962 | 2006-10-12 | Changes: (jdw) Added category pdbx_struct_chem_comp_diagnostics Added category pdbx_entity_annotation |
mmcif_rcsb_nmr.dic |
| 0.961 | 2006-09-25 | Changes: (jdw) Changes for revised annotation practices and remediation. +Added Categories: pdbx_helical_symmetry pdbx_point_symmetry pdbx_struct_entity_inst pdbx_struct_oper_list pdbx_struct_assembly pdbx_struct_assembly_gen pdbx_struct_asym_gen pdbx_struct_msym_gen pdbx_struct_legacy_oper_list pdbx_reflns_twin pdbx_struct_info pdbx_re_refinement pdbx_struct_assembly_prop pdbx_struct_ref_seq_feature pdbx_struct_ref_seq_feature_prop +Added items: _pdbx_helical_symmetry.entry_id _pdbx_helical_symmetry.number_of_operations _pdbx_helical_symmetry.rotation_per_n_subunits _pdbx_helical_symmetry.rise_per_n_subunits _pdbx_helical_symmetry.n_subunits_divisor _pdbx_helical_symmetry.dyad_axis _pdbx_helical_symmetry.circular_symmetry _pdbx_point_symmetry.entry_id _pdbx_point_symmetry.Schoenflies_symbol _pdbx_point_symmetry.H-M_notation _pdbx_point_symmetry.circular_symmetry _pdbx_struct_entity_inst.details _pdbx_struct_entity_inst.entity_id _pdbx_struct_entity_inst.id _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.vector[3] _pdbx_struct_assembly.details _pdbx_struct_assembly.id _pdbx_struct_assembly_gen.entity_inst_id _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_asym_gen.entity_inst_id _pdbx_struct_asym_gen.asym_id _pdbx_struct_asym_gen.oper_expression _pdbx_struct_msym_gen.entity_inst_id _pdbx_struct_msym_gen.msym_id _pdbx_struct_msym_gen.oper_expression _pdbx_struct_legacy_oper_list.id _pdbx_struct_legacy_oper_list.name _pdbx_struct_legacy_oper_list.matrix[1][1] _pdbx_struct_legacy_oper_list.matrix[1][2] _pdbx_struct_legacy_oper_list.matrix[1][3] _pdbx_struct_legacy_oper_list.matrix[2][1] _pdbx_struct_legacy_oper_list.matrix[2][2] _pdbx_struct_legacy_oper_list.matrix[2][3] _pdbx_struct_legacy_oper_list.matrix[3][1] _pdbx_struct_legacy_oper_list.matrix[3][2] _pdbx_struct_legacy_oper_list.matrix[3][3] _pdbx_struct_legacy_oper_list.vector[1] _pdbx_struct_legacy_oper_list.vector[2] _pdbx_struct_legacy_oper_list.vector[3] _pdbx_reflns_twin.diffrn_id _pdbx_reflns_twin.crystal_id _pdbx_reflns_twin.type _pdbx_reflns_twin.operator _pdbx_reflns_twin.fraction _pdbx_reflns_twin.mean_I2_over_mean_I_square _pdbx_reflns_twin.mean_F_square_over_mean_F2 _struct_conn.pdbx_dist_value _pdbx_struct_info.type _pdbx_struct_info.value _pdbx_struct_assembly_prop.details _pdbx_re_refinement.entry_id _pdbx_re_refinement.citation_id _pdbx_re_refinement.details _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details _struct_biol.pdbx_aggregation_state _struct_biol.pdbx_assembly_method _entry.pdbx_DOI _citation.unpublished_flag _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_nat.pdbx_ncbi_taxonomy_id _pdbx_struct_ref_seq_feature.feature_id _pdbx_struct_ref_seq_feature.align_id _pdbx_struct_ref_seq_feature.type _pdbx_struct_ref_seq_feature.details _pdbx_struct_ref_seq_feature.pdb_strand_id _pdbx_struct_ref_seq_feature.asym_id _pdbx_struct_ref_seq_feature.beg_auth_seq_id _pdbx_struct_ref_seq_feature.end_auth_seq_id _pdbx_struct_ref_seq_feature.beg_seq_num _pdbx_struct_ref_seq_feature.end_seq_num _pdbx_struct_ref_seq_feature.beg_auth_mon_id _pdbx_struct_ref_seq_feature.end_auth_mon_id _pdbx_struct_ref_seq_feature.beg_pdb_ins_code _pdbx_struct_ref_seq_feature.end_pdb_ins_code _pdbx_struct_ref_seq_feature_prop.feature_id _pdbx_struct_ref_seq_feature_prop.property_id _pdbx_struct_ref_seq_feature_prop.type _pdbx_struct_ref_seq_feature_prop.value _pdbx_struct_ref_seq_feature_prop.details _pdbx_struct_ref_seq_feature_prop.beg_db_mon_id _pdbx_struct_ref_seq_feature_prop.end_db_mon_id _pdbx_struct_ref_seq_feature_prop.beg_db_seq_id _pdbx_struct_ref_seq_feature_prop.end_db_seq_id |
mmcif_rcsb_nmr.dic |
| 0.960 | 2006-07-08 | Changes: (zf) + cleaned up spaces for jrnl names + added enumeration values to _struct_keywords.ndb_keywords |
mmcif_rcsb_nmr.dic |
| 0.959 | 2006-06-12 | Changes: (zf) + added new status codes to _ndb_database_status.status_code, _ndb_database_status.status_code_sf and _ndb_database_status.status_code_mr |
mmcif_rcsb_nmr.dic |
| 0.958 | 2006-05-09 | Changes: (zf) + added 'HOLD FOR 8 WEEKS' to author release status + added _struct.pdbx_CASP_flag item to struct category |
mmcif_rcsb_nmr.dic |
| 0.957 | 2006-05-04 | Changes: (jdw) + make _chemp_comp.pdbx_replaces a comma separated list. |
mmcif_rcsb_nmr.dic |
| 0.956 | 2006-05-01 | Changes: (jdw) + add _chemp_comp.pdbx_replaces/pdbx_replaced_by |
mmcif_rcsb_nmr.dic |
| 0.955 | 2006-04-27 | Changes: (jdw) + add pdbx_ordinal items for chem_comp_atom/bond and pdbx_ambiguous_flag to chem_comp. |
mmcif_rcsb_nmr.dic |
| 0.953 | 2006-04-14 | Changes (zf): + Add 'UNP' enum for _entity_poly.rcsb_seq_db_name |
mmcif_rcsb_nmr.dic |
| 0.952 | 2006-04-13 | Changes (jdw): + Add 'polydeoxyribonucleotide/polyribonucleotide hybrid' enum for _entity_poly.type. |
mmcif_rcsb_nmr.dic |
| 0.951 | 2006-03-01 | + Add _pdbx_contact_author.continent + Remove enums for _pdbx_contact_author.country + Added associated EM volume, associated NMR restraints, associated structure factors, and associated protein target sequence/protocol data to new item _rcsb_database_related.content_type. |
mmcif_rcsb_nmr.dic |
| 0.950 | 2005-06-27 | add _ndb_database_status.title_suppression item add rcsb_database_PDB_remark category |
mmcif_rcsb_nmr.dic |
| 0.949 | 2005-05-02 | removed enumeration values DEL, BIB, TEMP SUB REV from _ndb_database_status.status_code |
mmcif_rcsb_nmr.dic |
| 0.948 | 2005-03-17 | added enumeration value 'SPRSDE' and 'MODEL' for _database_PDB_rev_record.type added 'National Project on Protein Structural and Functional Analyses' to enumeration value for _pdbx_SG_project.project_name fixed _item_description.description for _entity_poly.pdbx_target_identifier fixed data type for _atom_site_anisotrop.ndb_label_atom_id |
mmcif_rcsb_nmr.dic |
| 0.947 | 2005-02-15 | added WAIT to enumeration value for _ndb_database_status.status_code_mr and _ndb_database_status.status_code_sf changed the enumeration value from 'Biochem.Biophys.Res.Comm.' to 'Biochem.Biophys.Res.Commun.' for _citation.journal_abbrev |
mmcif_rcsb_nmr.dic |
| 0.946 | 2005-02-04 | added 'Structural Genomics Consortium' to enumeration value for _pdbx_SG_project.full_name_of_center | mmcif_rcsb_nmr.dic |
| 0.945 | 2005-01-25 | changed _atom_site_anisotrop.ndb_PDB_atom_name's type code from 'code' to 'atcode' changed _atom_site.ndb_PDB_atom_name's type code from 'code' to 'atcode' changed _diffrn_source.ndb_synchrotron_site's type code from 'code' to 'line' added more enumeration value for _rcsb_struct_link.id |
mmcif_rcsb_nmr.dic |
| 0.944 | 2004-12-13 | add Proteins to _citation.journal_abbrev's enumeration list add HYDROLASE REGULATOR to _struct_keywords.ndb_keywords' description add _ndb_database_status.status_code_sf item add _ndb_database_status.date_of_sf_release item add _ndb_database_status.status_code_mr item add _ndb_database_status.date_of_mr_release item add _ndb_database_status.SG_entry item add _entity_poly.pdbx_target_identifier item add pdbx_SG_project category fixed enumeration values for _software.language |
mmcif_rcsb_nmr.dic |
| 0.943 | 2004-09-28 | Add missing pdbx_contact_author.postal_code item Add missing pdbx_contact_author.city item Add missing pdbx_contact_author.state_province item Add enumerations in _pdbx_contact_author.id Modify enumerations for pdbx_contact_author.role Add _struct_ref_seq_dif.rcsb_ordinal as key to this category. |
mmcif_rcsb_nmr.dic |
| 0.942 | 2004-09-08 | Add missing _pdbx_contact_author.country item | mmcif_rcsb_nmr.dic |
| 0.941 | 2004-09-03 | Add pdbx_contact_author category. | mmcif_rcsb_nmr.dic |
| 0.940 | 2004-08-08 | Added missing NDB data items | mmcif_rcsb_nmr.dic |
| 0.939 | 2004-05-23 | Added _citation.rcsb_database_id_DOI | mmcif_rcsb_nmr.dic |
| 0.938 | 2003-06-21 | Extend all local entity_id item enumerations to 35. Remove mandatory code for struct_ref.biol_id | mmcif_rcsb_nmr.dic |
| 0.937 | 2003-05-05 | Add internal rcsb_val_* categories. | mmcif_rcsb_nmr.dic |
| 0.936 | 2003-03-20 | Add _citation.rcsb_database_id_PubMed | mmcif_rcsb_nmr.dic |
| 0.935 | 2003-01-22 | Update enums for pdb header and refinement programs. | mmcif_rcsb_nmr.dic |
| 0.934 | 2002-05-22 | Add RCSB_ENTITY_NOPOLY | mmcif_rcsb_nmr.dic |
| 0.933 | 2002-02-28 | Move common NDB derived feature definitions to mmcif_ndb_supplement_1.dic | mmcif_rcsb_nmr.dic |
| 0.932 | 2002-02-05 | Added model numbers to virtual bond and angle categories. | mmcif_rcsb_nmr.dic |
| 0.931 | 2002-01-20 | Added categories for derived features. | mmcif_rcsb_nmr.dic |
| 0.930 | 2001-12-13 | Update enumeration for _diffrn_source.type. Add enumeration for _refine.ndb_stereochemical_target_values Fix typo in ddl attribute. |
mmcif_rcsb_nmr.dic |
| 0.929 | 2001-10-31 | Added _rcsb_refine_ls_restr_ncs. | mmcif_rcsb_nmr.dic |
| 0.928 | 2001-10-11 | Added _ndb_struct_na_base_pair.hbond_type_12 and _ndb_struct_na_base_pair.hbond_type_28 Added validation and solution scattering groups. |
mmcif_rcsb_nmr.dic |
| 0.927 | 2001-09-13 | Added category RCSB_ENTITY_ASSEMBLY. Revise enumerations for SF and MR hold periods. The following placeholders need definitions: _refln.rcsb_phase_cycle _refln.rcsb_cos_phase_calc _refln.rcsb_sin_phase_calc _refln.ndb_anomalous_diff _refln.ndb_anomalous_diff_sigma |
mmcif_rcsb_nmr.dic |
| 0.926 | 2001-08-02 | Added local attributes to CHEM_COMP and new category RCSB_CHEMP_COMP_SYNONYMS. | mmcif_rcsb_nmr.dic |
| 0.925 | 2001-06-14 | Fixed syntax error in category group list. Extended enumeration list for _ndb_database_status.deposit_site and _ndb_database_status.process_site. Moved enumerations to examples for _rcsb_nmr_spectrometer.field_strength |
mmcif_rcsb_nmr.dic |
| 0.924 | 2001-04-18 | Added: CCP4 definitions for TLS, categories CCP4_REFINE_TLS and CCP4_REFINE_TLS_GROUP |
mmcif_rcsb_nmr.dic |
| 0.923 | 2001-01-22 | Added: item _ndb_database_status.dep_release_code_sequence category RCSB_PRERELEASE_SEQ. |
mmcif_rcsb_nmr.dic |
| 0.922 | 2000-12-14 | Add RCSB_TABLEINFO and RCSB_COLUMNINFO | mmcif_rcsb_nmr.dic |
| 0.921 | 2000-12-11 | Add author label fields, pair/step number and names to categories NDB_STRUCT_NA_BASE_PAIR and NDB_STRUCT_NA_BASE_STEP |
mmcif_rcsb_nmr.dic |
| 0.920 | 2000-12-05 | _diffrn_radiation.rcsb_diffrn_protocol data type changed to line. classification enumeration updated. |
mmcif_rcsb_nmr.dic |
| 0.919 | 2000-10-27 | Updated beamline enumerations for Photon Factory and SPRING-8 |
mmcif_rcsb_nmr.dic |
| 0.918 | 2000-10-27 | Added _exptl_crystal_grow.rcsb_pH_range. Added enumerations for _struct_ref_seq_dif.details. Added RCSB_STRUCT_SHEET_HBOND |
mmcif_rcsb_nmr.dic |
| 0.917 | 2000-10-26 | Extended enumerations for _entity_src_gen.ndb_host_org_scientific_name and _entity_src_gen.host_org_common_name. |
mmcif_rcsb_nmr.dic |
| 0.916 | 2000-10-17 | Included revision history category formerly archived in CVS. History records for both NMR and X-ray versions are logged in this supplement (Part I). J. Westbrook |
mmcif_rcsb_nmr.dic |
| 1.0021 | 2011-11-28 | Changes (jdw): + Restore provisional data data items: _pdbx_reference_entity_instances.PDB_chain_id_list _pdbx_reference_entity_instances.PDB_residue_number _pdbx_reference_entity_list.component _pdbx_reference_entity_link.component_1 _pdbx_reference_entity_link.component_2 _pdbx_reference_entity_link.nonpoly_res_num_1 _pdbx_reference_entity_link.nonpoly_res_num_2 _pdbx_reference_entity_link.link_class _pdbx_reference_entity_poly_nstd_link.component _pdbx_reference_entity_poly_nstd_link.insert_code_1 _pdbx_reference_entity_poly_nstd_link.insert_code_2 _pdbx_reference_entity_poly_seq.parent_mon_id _pdbx_reference_entity_poly_seq.insert_code _pdbx_reference_entity_poly_seq.modification_details |
mmcif_rcsb_nmr.dic |
| 1.0020 | 2011-04-27 | Changes: (jdw): + update enumeration _exptl.method |
mmcif_rcsb_nmr.dic |
| 1.0019 | 2011-04-19 | Changes: (jdw): + Add item _pdbx_reference_entity_poly_seq.modification_details |
mmcif_rcsb_nmr.dic |
| 1.0018 | 2011-04-08 | Changes: (jdw): + Added items - _pdbx_reference_entity_link.component_1 _pdbx_reference_entity_link.component_2 _pdbx_reference_entity_poly_nstd_link.component _pdbx_reference_entity_instances.PDB_residue_number _pdbx_reference_entity_instances.PDB_chain_id_list _pdbx_reference_entity_poly_seq.hetero |
mmcif_rcsb_nmr.dic |
| 1.0017 | 2011-04-07 | Changes: (jdw): + Added items - _pdbx_reference_entity_list.component _pdbx_reference_entity_entity_link.link_class _pdbx_reference_entity_entity_link.entity_seq_num_1 _pdbx_reference_entity_entity_link.nonpoly_res_num_1 _pdbx_reference_entity_entity_link.entity_seq_num_2 _pdbx_reference_entity_entity_link.nonpoly_res_num_2 |
mmcif_rcsb_nmr.dic |
| 1.0016 | 2011-04-06 | Changes (jdw): + Synchronized with version 4 of PDBx dictionary. |
mmcif_rcsb_nmr.dic |
| 1.0015 | 2011-02-21 | Changes (jdw): + Added categories pdbx_entity_group and pdbx_entity_group_components |
mmcif_rcsb_nmr.dic |
| 1.0014 | 2011-02-03 | Changes (jdw): + Removed _chem_comp.type 'Iso-peptide linking' enumeration and replaced this with - 'L-gamma-peptide, C-delta linking', 'D-gamma-peptide, C-delta linking', 'L-beta-peptide, C-gamma linking', and 'D-beta-peptide, C-gamma linking'. |
mmcif_rcsb_nmr.dic |
| 1.0013 | 2011-01-25 | Changes (jdw): + Added new category pdbx_struct_comp_nstd_link. + Added _chem_comp.type 'Iso-peptide linking' enumeration. |
mmcif_rcsb_nmr.dic |
| 1.0012 | 2009-10-27 | Changes (jdw): + Add _pdbx_validate_planes.type enumerations for 'SIDE CHAIN' and 'MAIN CHAIN' and deprecate values that contained underscores (e.g. MAIN_CHAIN). + Added _pdbx_remediation_atom_site_mapping.auth_alt_id,_pdbx_remediation_atom_site_mapping.auth_asym_id, _pdbx_remediation_atom_site_mapping.auth_atom_id,_pdbx_remediation_atom_site_mapping.auth_comp_id, _pdbx_remediation_atom_site_mapping.auth_seq_id |
mmcif_rcsb_nmr.dic |
| 1.0009 | 2009-06-02 | Changes (jdw): + synchronize version with x-ray internal dictionary. + Add category pdbx_remediation_atom_site_mapping + update internal tables of link relationships |
mmcif_rcsb_nmr.dic |
| 0.9982 | 2008-12-17 | Changes (jdw): + update enumerations for _rcsb_nmr_software.classification |
mmcif_rcsb_nmr.dic |
| 0.9981 | 2008-10-04 | Changes (jdw): + add _rcsb_nmr_exptl_sample.concentration_range |
mmcif_rcsb_nmr.dic |
| 0.998 | 2008-10-03 | Changes (jdw): + add _software.pdbx_ordinal and _rcsb_nmr_software.ordinal and make these category keys in these categories. + set _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id type to line |
mmcif_rcsb_nmr.dic |
| 0.994 | 2008-09-04 | Changes: (jdw) + Removed item_linked constraints on author identifiers and residue ranges in pdbx_refine_tls_group. Residue ranges treated as author provided parameters used for program input not necessarily corresponding to observed residues in the deposited entry. + Added _pdbx_refine_tls_group.selection_details to capture text description of TLS selection group. + Simplified category key for struct_ncs_dom_lim. + Added struct_ncs_dom_lim.selection_details + Updated examples for _exptl.method |
mmcif_rcsb_nmr.dic |
| 0.993 | 2008-09-03 | Roll-up changes related to NMR: (jdw): + Add category pdbx_struct_chem_comp_feature + Add _pdbx_entity_annotation.source, _pdbx_chem_comp_feature.support + Make _pdbx_entity_annotation.text part of category key + Update centers in pdbx_sg_project + Add enumerations for antibiotics to _entity.type and _entity_poly.type + Add _ndb_poly_seq_scheme.hetero |
mmcif_rcsb_nmr.dic |
| 0.990 | 2008-07-23 | Changes: (jdw): + _pdbx_nmr_refine.method made optional + adjust data type ec-type + add _chem_comp_atom.pdbx_component_atom_id + add _chem_comp_atom.pdbx_component_comp_id + add _chem_comp_atom.pdbx_subcomponent_list + added _pdbx_chem_comp_feature.comp_id, _pdbx_chem_comp_feature.type, _pdbx_chem_comp_feature.value and _pdbx_chem_comp_feature.source + _chem_comp.type added enumeration - 'peptide-like' + add missing definitions. + added _pdbx_coordinate_model.asym_id and _pdbx_coordinate_model.type |
mmcif_rcsb_nmr.dic |
| 0.988 | 2008-07-18 | Changes: (jdw): Added - _struct.pdbx_model_type_details |
mmcif_rcsb_nmr.dic |
| 0.987 | 2008-06-09 | Changes: (jdw) + Removed parent child constraints from items - _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.end_label_asym_id |
mmcif_rcsb_nmr.dic |
| 0.986 | 2008-05-29 | Changes: (jdw) + This dictionary is the first version supporting PDB V3.2 + Added- _refine_ls_restr_ncs.pdb_ens_id, _struct_ncs_dom.pdbx_ens_id, _struct_ncs_dom_lim.pdbx_ens_id to category keys - |
mmcif_rcsb_nmr.dic |
| 0.985 | 2008-05-29 | Changes: (jdw) + Added- _refine_ls_restr_ncs.pdb_ens_id, _struct_ncs_dom.pdbx_ens_id, _struct_ncs_dom_lim.pdbx_ens_id. + Removed parent-child references to the atom_site category from categories pdbx_unobs_or_zero_occ_atoms/residues. |
mmcif_rcsb_nmr.dic |
| 0.984 | 2008-03-03 | Changes: (zf) + Added 'Seattle Structural Genomics Center for Infectious Disease' + fix category id typo. |
mmcif_rcsb_nmr.dic |
| 0.983 | 2008-02-10 | Changes: (jw): + Added contributed item from Acta Cryst. editors by way of Brian McMahon, _reflns.pdbx_d_opt. |
mmcif_rcsb_nmr.dic |
| 0.982 | 2008-01-09 | Changes: (jw,zf) + Added _entity_poly.rcsb_build_self_reference, _refine.pdbx_overall_phase_error and _refine_ls_shell.pdbx_phase_error + Added contributed item from Howard Einsphar and Manfred Weiss - _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all |
mmcif_rcsb_nmr.dic |
| 0.981 | 2007-09-27 | Changes: (zf) + Add enumeration values: 'Icosahedral virus', 'Helical virus' and SPLICING |
mmcif_rcsb_nmr.dic |
| 0.980 | 2007-08-24 | Changes: (jdw/zf) + Add categories pdbx_struct_ref_seq_insertion and pdbx_struct_ref_seq_deletion. |
mmcif_rcsb_nmr.dic |
| 0.979 | 2007-08-14 | Changes: (jdw/kh/zf) + Replace ebi_validate_* categories with pdbx_validate_* categories including categories describing planar deviations. These categories provide placeholder definitions for mapping PDB REMARK 500 validation data and other PDB remarks - Added categories: pdbx_validate_close_contact,pdbx_validate_symm_contact,pdbx_validate_rmsd_bond, pdbx_validate_rmsd_angle,pdbx_validate_torsion,pdbx_validate_peptide_omega, pdbx_validate_chiral,pdbx_validate_planes,pdbx_validate_planes_atom, pdbx_validate_main_chain_plane, pdbx_struct_conn_angle, pdbx_unobs_or_zero_occ_residues pdbx_unobs_or_zero_occ_atoms, pdbx_struct_mod_residue and pdbx_entry_details. + Add 'identity operation' to enums for _pdbx_struct_oper_list.type + _chem_comp.pdbx_processing_site added. |
mmcif_rcsb_nmr.dic |
| 0.977 | 2007-05-28 | Changes: (jdw) Adjust data types for parent-child consistency. |
mmcif_rcsb_nmr.dic |
| 0.976 | 2007-05-24 | Changes: (jdw) _atom_site.ndb_model_num,_struct_conf.ndb_length,ndb_poly_seq_scheme.ndb_seq_num made ints. |
mmcif_rcsb_nmr.dic |
| 0.975 | 2007-04-26 | Changes: (zk) Changed the enumeration list for _struct_keywords.ndb_keywords |
mmcif_rcsb_nmr.dic |
| 0.974 | 2007-04-18 | Changes: (zk) Changed _rcsb_nmr_representative.conformer_id data type from 'int' to 'line' |
mmcif_rcsb_nmr.dic |
| 0.973 | 2007-04-16 | Changes: (jw) Add category rcsb_sequence_annotation to collect ncbi taxids by chain id. |
mmcif_rcsb_nmr.dic |
| 0.972 | 2007-04-04 | Changes: (jw) Adjust category key for RCSB_VERSION category. Update definition of _pdbx_struct_oper_list.id |
mmcif_rcsb_nmr.dic |
| 0.971 | 2007-02-02 | Changes: (jw) Add RCSB_VERSION category. |
mmcif_rcsb_nmr.dic |
| 0.970 | 2007-01-15 | Changes: (jw) Provide complete category key for ndb_poly_seq_scheme category. |
mmcif_rcsb_nmr.dic |
| 0.966 | 2006-11-13 | Changes: (zf) removed 'New York Structural Genomics Research Consortium' from enumeration list |
mmcif_rcsb_nmr.dic |
| 0.965 | 2006-10-16 | Changes: (jdw) Change key in pdbx_chem_comp_diagnostics to ordinal. |
mmcif_rcsb_nmr.dic |
| 0.963 | 2006-10-13 | Changes: (jdw) Added category pdbx_chem_comp_protonation_site |
mmcif_rcsb_nmr.dic |
| 0.962 | 2006-10-12 | Changes: (jdw) Added category pdbx_struct_chem_comp_diagnostics Added category pdbx_entity_annotation |
mmcif_rcsb_nmr.dic |
| 0.961 | 2006-09-25 | Changes: (jdw) Changes for revised annotation practices and remediation. +Added Categories: pdbx_helical_symmetry pdbx_point_symmetry pdbx_struct_entity_inst pdbx_struct_oper_list pdbx_struct_assembly pdbx_struct_assembly_gen pdbx_struct_asym_gen pdbx_struct_msym_gen pdbx_struct_legacy_oper_list pdbx_reflns_twin pdbx_struct_info pdbx_re_refinement pdbx_struct_assembly_prop pdbx_struct_ref_seq_feature pdbx_struct_ref_seq_feature_prop +Added items: _pdbx_helical_symmetry.entry_id _pdbx_helical_symmetry.number_of_operations _pdbx_helical_symmetry.rotation_per_n_subunits _pdbx_helical_symmetry.rise_per_n_subunits _pdbx_helical_symmetry.n_subunits_divisor _pdbx_helical_symmetry.dyad_axis _pdbx_helical_symmetry.circular_symmetry _pdbx_point_symmetry.entry_id _pdbx_point_symmetry.Schoenflies_symbol _pdbx_point_symmetry.H-M_notation _pdbx_point_symmetry.circular_symmetry _pdbx_struct_entity_inst.details _pdbx_struct_entity_inst.entity_id _pdbx_struct_entity_inst.id _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.vector[3] _pdbx_struct_assembly.details _pdbx_struct_assembly.id _pdbx_struct_assembly_gen.entity_inst_id _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_asym_gen.entity_inst_id _pdbx_struct_asym_gen.asym_id _pdbx_struct_asym_gen.oper_expression _pdbx_struct_msym_gen.entity_inst_id _pdbx_struct_msym_gen.msym_id _pdbx_struct_msym_gen.oper_expression _pdbx_struct_legacy_oper_list.id _pdbx_struct_legacy_oper_list.name _pdbx_struct_legacy_oper_list.matrix[1][1] _pdbx_struct_legacy_oper_list.matrix[1][2] _pdbx_struct_legacy_oper_list.matrix[1][3] _pdbx_struct_legacy_oper_list.matrix[2][1] _pdbx_struct_legacy_oper_list.matrix[2][2] _pdbx_struct_legacy_oper_list.matrix[2][3] _pdbx_struct_legacy_oper_list.matrix[3][1] _pdbx_struct_legacy_oper_list.matrix[3][2] _pdbx_struct_legacy_oper_list.matrix[3][3] _pdbx_struct_legacy_oper_list.vector[1] _pdbx_struct_legacy_oper_list.vector[2] _pdbx_struct_legacy_oper_list.vector[3] _pdbx_reflns_twin.diffrn_id _pdbx_reflns_twin.crystal_id _pdbx_reflns_twin.type _pdbx_reflns_twin.operator _pdbx_reflns_twin.fraction _pdbx_reflns_twin.mean_I2_over_mean_I_square _pdbx_reflns_twin.mean_F_square_over_mean_F2 _struct_conn.pdbx_dist_value _pdbx_struct_info.type _pdbx_struct_info.value _pdbx_struct_assembly_prop.details _pdbx_re_refinement.entry_id _pdbx_re_refinement.citation_id _pdbx_re_refinement.details _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details _struct_biol.pdbx_aggregation_state _struct_biol.pdbx_assembly_method _entry.pdbx_DOI _citation.unpublished_flag _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_nat.pdbx_ncbi_taxonomy_id _pdbx_struct_ref_seq_feature.feature_id _pdbx_struct_ref_seq_feature.align_id _pdbx_struct_ref_seq_feature.type _pdbx_struct_ref_seq_feature.details _pdbx_struct_ref_seq_feature.pdb_strand_id _pdbx_struct_ref_seq_feature.asym_id _pdbx_struct_ref_seq_feature.beg_auth_seq_id _pdbx_struct_ref_seq_feature.end_auth_seq_id _pdbx_struct_ref_seq_feature.beg_seq_num _pdbx_struct_ref_seq_feature.end_seq_num _pdbx_struct_ref_seq_feature.beg_auth_mon_id _pdbx_struct_ref_seq_feature.end_auth_mon_id _pdbx_struct_ref_seq_feature.beg_pdb_ins_code _pdbx_struct_ref_seq_feature.end_pdb_ins_code _pdbx_struct_ref_seq_feature_prop.feature_id _pdbx_struct_ref_seq_feature_prop.property_id _pdbx_struct_ref_seq_feature_prop.type _pdbx_struct_ref_seq_feature_prop.value _pdbx_struct_ref_seq_feature_prop.details _pdbx_struct_ref_seq_feature_prop.beg_db_mon_id _pdbx_struct_ref_seq_feature_prop.end_db_mon_id _pdbx_struct_ref_seq_feature_prop.beg_db_seq_id _pdbx_struct_ref_seq_feature_prop.end_db_seq_id |
mmcif_rcsb_nmr.dic |
| 0.960 | 2006-07-08 | Changes: (zf) + cleaned up spaces for jrnl names + added enumeration values to _struct_keywords.ndb_keywords |
mmcif_rcsb_nmr.dic |
| 0.959 | 2006-06-12 | Changes: (zf) + added new status codes to _ndb_database_status.status_code, _ndb_database_status.status_code_sf and _ndb_database_status.status_code_mr |
mmcif_rcsb_nmr.dic |
| 0.958 | 2006-05-09 | Changes: (zf) + added 'HOLD FOR 8 WEEKS' to author release status + added _struct.pdbx_CASP_flag item to struct category |
mmcif_rcsb_nmr.dic |
| 0.957 | 2006-05-04 | Changes: (jdw) + make _chemp_comp.pdbx_replaces a comma separated list. |
mmcif_rcsb_nmr.dic |
| 0.956 | 2006-05-01 | Changes: (jdw) + add _chemp_comp.pdbx_replaces/pdbx_replaced_by |
mmcif_rcsb_nmr.dic |
| 0.955 | 2006-04-27 | Changes: (jdw) + add pdbx_ordinal items for chem_comp_atom/bond and pdbx_ambiguous_flag to chem_comp. |
mmcif_rcsb_nmr.dic |
| 0.953 | 2006-04-14 | Changes (zf): + Add 'UNP' enum for _entity_poly.rcsb_seq_db_name |
mmcif_rcsb_nmr.dic |
| 0.952 | 2006-04-13 | Changes (jdw): + Add 'polydeoxyribonucleotide/polyribonucleotide hybrid' enum for _entity_poly.type. |
mmcif_rcsb_nmr.dic |
| 0.951 | 2006-03-01 | + Add _pdbx_contact_author.continent + Remove enums for _pdbx_contact_author.country + Added associated EM volume, associated NMR restraints, associated structure factors, and associated protein target sequence/protocol data to new item _rcsb_database_related.content_type. |
mmcif_rcsb_nmr.dic |
| 0.950 | 2005-06-27 | add _ndb_database_status.title_suppression item add rcsb_database_PDB_remark category |
mmcif_rcsb_nmr.dic |
| 0.949 | 2005-05-02 | removed enumeration values DEL, BIB, TEMP SUB REV from _ndb_database_status.status_code |
mmcif_rcsb_nmr.dic |
| 0.948 | 2005-03-17 | added enumeration value 'SPRSDE' and 'MODEL' for _database_PDB_rev_record.type added 'National Project on Protein Structural and Functional Analyses' to enumeration value for _pdbx_SG_project.project_name fixed _item_description.description for _entity_poly.pdbx_target_identifier fixed data type for _atom_site_anisotrop.ndb_label_atom_id |
mmcif_rcsb_nmr.dic |
| 0.947 | 2005-02-15 | added WAIT to enumeration value for _ndb_database_status.status_code_mr and _ndb_database_status.status_code_sf changed the enumeration value from 'Biochem.Biophys.Res.Comm.' to 'Biochem.Biophys.Res.Commun.' for _citation.journal_abbrev |
mmcif_rcsb_nmr.dic |
| 0.946 | 2005-02-04 | added 'Structural Genomics Consortium' to enumeration value for _pdbx_SG_project.full_name_of_center | mmcif_rcsb_nmr.dic |
| 0.945 | 2005-01-25 | changed _atom_site_anisotrop.ndb_PDB_atom_name's type code from 'code' to 'atcode' changed _atom_site.ndb_PDB_atom_name's type code from 'code' to 'atcode' changed _diffrn_source.ndb_synchrotron_site's type code from 'code' to 'line' added more enumeration value for _rcsb_struct_link.id |
mmcif_rcsb_nmr.dic |
| 0.944 | 2004-12-13 | add Proteins to _citation.journal_abbrev's enumeration list add HYDROLASE REGULATOR to _struct_keywords.ndb_keywords' description add _ndb_database_status.status_code_sf item add _ndb_database_status.date_of_sf_release item add _ndb_database_status.status_code_mr item add _ndb_database_status.date_of_mr_release item add _ndb_database_status.SG_entry item add _entity_poly.pdbx_target_identifier item add pdbx_SG_project category fixed enumeration values for _software.language |
mmcif_rcsb_nmr.dic |
| 0.943 | 2004-09-28 | Add missing pdbx_contact_author.postal_code item Add missing pdbx_contact_author.city item Add missing pdbx_contact_author.state_province item Add enumerations in _pdbx_contact_author.id Modify enumerations for pdbx_contact_author.role Add _struct_ref_seq_dif.rcsb_ordinal as key to this category. |
mmcif_rcsb_nmr.dic |
| 0.942 | 2004-09-08 | Add missing _pdbx_contact_author.country item | mmcif_rcsb_nmr.dic |
| 0.941 | 2004-09-03 | Add pdbx_contact_author category. | mmcif_rcsb_nmr.dic |
| 0.940 | 2004-08-08 | Added missing NDB data items | mmcif_rcsb_nmr.dic |
| 0.939 | 2004-05-23 | Added _citation.rcsb_database_id_DOI | mmcif_rcsb_nmr.dic |
| 0.938 | 2003-06-21 | Extend all local entity_id item enumerations to 35. Remove mandatory code for struct_ref.biol_id | mmcif_rcsb_nmr.dic |
| 0.937 | 2003-05-05 | Add internal rcsb_val_* categories. | mmcif_rcsb_nmr.dic |
| 0.936 | 2003-03-20 | Add _citation.rcsb_database_id_PubMed | mmcif_rcsb_nmr.dic |
| 0.935 | 2003-01-22 | Update enums for pdb header and refinement programs. | mmcif_rcsb_nmr.dic |
| 0.934 | 2002-05-22 | Add RCSB_ENTITY_NOPOLY | mmcif_rcsb_nmr.dic |
| 0.933 | 2002-02-28 | Move common NDB derived feature definitions to mmcif_ndb_supplement_1.dic | mmcif_rcsb_nmr.dic |
| 0.932 | 2002-02-05 | Added model numbers to virtual bond and angle categories. | mmcif_rcsb_nmr.dic |
| 0.931 | 2002-01-20 | Added categories for derived features. | mmcif_rcsb_nmr.dic |
| 0.930 | 2001-12-13 | Update enumeration for _diffrn_source.type. Add enumeration for _refine.ndb_stereochemical_target_values Fix typo in ddl attribute. |
mmcif_rcsb_nmr.dic |
| 0.929 | 2001-10-31 | Added _rcsb_refine_ls_restr_ncs. | mmcif_rcsb_nmr.dic |
| 0.928 | 2001-10-11 | Added _ndb_struct_na_base_pair.hbond_type_12 and _ndb_struct_na_base_pair.hbond_type_28 Added validation and solution scattering groups. |
mmcif_rcsb_nmr.dic |
| 0.927 | 2001-09-13 | Added category RCSB_ENTITY_ASSEMBLY. Revise enumerations for SF and MR hold periods. The following placeholders need definitions: _refln.rcsb_phase_cycle _refln.rcsb_cos_phase_calc _refln.rcsb_sin_phase_calc _refln.ndb_anomalous_diff _refln.ndb_anomalous_diff_sigma |
mmcif_rcsb_nmr.dic |
| 0.926 | 2001-08-02 | Added local attributes to CHEM_COMP and new category RCSB_CHEMP_COMP_SYNONYMS. | mmcif_rcsb_nmr.dic |
| 0.925 | 2001-06-14 | Fixed syntax error in category group list. Extended enumeration list for _ndb_database_status.deposit_site and _ndb_database_status.process_site. Moved enumerations to examples for _rcsb_nmr_spectrometer.field_strength |
mmcif_rcsb_nmr.dic |
| 0.924 | 2001-04-18 | Added: CCP4 definitions for TLS, categories CCP4_REFINE_TLS and CCP4_REFINE_TLS_GROUP |
mmcif_rcsb_nmr.dic |
| 0.923 | 2001-01-22 | Added: item _ndb_database_status.dep_release_code_sequence category RCSB_PRERELEASE_SEQ. |
mmcif_rcsb_nmr.dic |
| 0.922 | 2000-12-14 | Add RCSB_TABLEINFO and RCSB_COLUMNINFO | mmcif_rcsb_nmr.dic |
| 0.921 | 2000-12-11 | Add author label fields, pair/step number and names to categories NDB_STRUCT_NA_BASE_PAIR and NDB_STRUCT_NA_BASE_STEP |
mmcif_rcsb_nmr.dic |
| 0.920 | 2000-12-05 | _diffrn_radiation.rcsb_diffrn_protocol data type changed to line. classification enumeration updated. |
mmcif_rcsb_nmr.dic |
| 0.919 | 2000-10-27 | Updated beamline enumerations for Photon Factory and SPRING-8 |
mmcif_rcsb_nmr.dic |
| 0.918 | 2000-10-27 | Added _exptl_crystal_grow.rcsb_pH_range. Added enumerations for _struct_ref_seq_dif.details. Added RCSB_STRUCT_SHEET_HBOND |
mmcif_rcsb_nmr.dic |
| 0.917 | 2000-10-26 | Extended enumerations for _entity_src_gen.ndb_host_org_scientific_name and _entity_src_gen.host_org_common_name. |
mmcif_rcsb_nmr.dic |
| 0.916 | 2000-10-17 | Included revision history category formerly archived in CVS. History records for both NMR and X-ray versions are logged in this supplement (Part I). J. Westbrook |
mmcif_rcsb_nmr.dic |
Data Type List
| Data Type Code | Primitive Type Code | Regular Expression | Description |
|---|---|---|---|
| any | char | .* | A catch all for items that may take any form... |
| atcode | char | [][ _(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]* | Character data type for atom names ... |
| code | char | [_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]* | code item types/single words ... |
| code30 | char | .?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.? | A string value, not allowed to exceed 30 characters. |
| uchar | [_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]* | code item types/single words (case insensitive) ... | |
| fax | uchar | [_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]* | code item types/single words (case insensitive) ... |
| float | numb | -?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? | int 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. |
| 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]+)? | int item types are the subset of numbers that are the negative or positive integers with optional range. |
| 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 |
| phone | uchar | [_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]* | code item types/single words (case insensitive) ... |
| symop | char | ([1-9]|[1-9][0-9]|1[0-8][0-9]|19[0-2])(_[1-9][1-9][1-9])? | symop item types take the form n_klm, where n refers to the symmetry operation that is applied to the coordinates in the ATOM_SITE category identified by _atom_site_label. It must match a number given in _symmetry_equiv_pos_site_id. k, l, and m refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used. These translations (x,y,z) are related to (k,l,m) by k = 5 + x l = 5 + y m = 5 + z By adding 5 to the translations, the use of negative numbers is avoided. |
| text | char | [][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*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 |
| 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. |
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. |
| 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. |
| vector | The collection of elements of a vector. |
Units List
| Units Identifier | Description |
|---|---|
| 8pi2_angstroms_squared | 8pi2 * angstroms squared (meters * 10(-10))2 |
| angstroms | angstroms (meters * 10(-10)) |
| angstroms_cubed | angstroms cubed (meters * 10(-10))3 |
| angstroms_degrees | angstroms * degrees |
| angstroms_squared | angstroms squared (meters * 10(-10))2 |
| arbitrary | arbitrary system of units. |
| celsius | degrees (of temperature) Celsius |
| centimetres | centimetres (meters * 10( -2)) |
| 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 (meters * 10(-10))3 |
| electrons_per_nanometres_cubed | electrons per nanometres cubed (meters * 10( -9))3 |
| electrons_per_picometres_cubed | electrons per picometres cubed (meters * 10(-12))3 |
| electrons_squared | electrons squared |
| femtometres | femtometres (meters * 10(-15)) |
| gigapascals | gigapascals |
| hours | hours |
| kelvins | degrees (of temperature) Kelvin |
| kilopascals | kilopascals |
| kilovolts | kilovolts |
| kilowatts | kilowatts |
| megadaltons | megadaltons |
| mg_per_ml | milligrams per milliliter |
| microns | microns |
| microns_squared | microns squared |
| microseconds | microseconds |
| milliamperes | milliamperes |
| millimeters | millimeters |
| millimetres | millimetres (meters * 10( -3)) |
| millimolar | millimolar |
| minutes | minutes |
| nanometres | nanometres (meters * 10( -9)) |
| nanometres_cubed | nanometres cubed (meters * 10( -9))3 |
| nanometres_squared | nanometres squared (meters * 10( -9))2 |
| picometres | picometres (meters * 10(-12)) |
| picometres_cubed | picometres cubed (meters * 10(-12))3 |
| picometres_squared | picometres squared (meters * 10(-12))2 |
| reciprocal_angstroms | reciprocal angstroms (meters * 10(-10)-1) |
| reciprocal_centimetres | reciprocal centimetres (meters * 10( -2)-1) |
| reciprocal_millimetres | reciprocal millimetres (meters * 10( -3)-1) |
| reciprocal_nanometres | reciprocal nanometres (meters * 10( -9)-1) |
| reciprocal_picometres | reciprocal picometres (meters * 10(-12)-1) |
| seconds | seconds |
Units Conversion List
| From Units&Identifier | To Units&Identifier | Operator | Conversion Factor |
|---|---|---|---|
| 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 |