Dictionary Index mmcif_rcsb_nmr.dic

General

Dictionary title
RCSB PDB NMR Internal Data Dictionary
Dictionary description
Data dictionary used by RCSB PDB for internal data processing and annotation operations
Original developers
RCSB PDB
Dictionary maintainers
RCSB PDB
Dictionary name
mmcif_rcsb_nmr.dic
Dictionary version
1.0021
Last update
2011-11-28

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