Dictionary Index mmcif_pdbx.dic

General

Dictionary title
PDB Exchange Dictionary (PDBx/mmCIF) Version 5 (release candidate)
Dictionary description
Release candidate version V5 of the PDB Exchange Dictionary Data dictionary
Original developers
wwPDB
Dictionary name
mmcif_pdbx.dic
Dictionary version
5.274
Last update
2017-03-20

Dictionary Revision History

Version Revision Date Revision Description
5.274 2017-03-20
Changes (ep):
+ For v5rc: Remove category context to WWPDB_LOCAL for pdbx_version,
database_PDB_rev and database_PDB_rev_record
+ Add 'Force Field X' to deposition enumeration for software.name
5.273 2017-03-20
Changes (ep):
+ For v5rc: Set category context to WWPDB_LOCAL for computing
+ For v5rc: Remove context on the following due to existing data in archive
_atom_site.Cartn_x_esd, _atom_site.Cartn_y_esd, _atom_site.Cartn_z_esd,
_atom_site.occupancy_esd, _atom_site.B_iso_or_equiv_esd,
_atom_site_anisotrop.U[1][1]_esd, _atom_site_anisotrop.U[2][2]_esd,
_atom_site_anisotrop.U[3][3]_esd, _atom_site_anisotrop.U[1][2]_esd,
_atom_site_anisotrop.U[1][3]_esd, _atom_site_anisotrop.U[2][3]_esd
+ Add 'Bruker METALJET' to _diffrn_detector.type enumeration
+ Flag _pdbx_audit_revision_details.type as mandatory for deposition.
+ Add _pdbx_crystal_alignment.ybeam_esd
+ Make _refine_B_iso.pdbx_residue_num, _refine_B_iso.pdbx_strand,
_refine_B_iso.pdbx_residue_name non-mandatory
+ Correct examples for pdbx_audit_revision_history and
pdbx_audit_revision_group
+ Update enumeration for _pdbx_audit_revision_group.group
+ Create/update examples for emd_molecular_mass, emd_vitrification,
emd_angle_assignment, emd_particle, emd_volume, emd_modelling_initial_model
5.272 2017-03-14
Changes (ep):
+ For v5rc: Set category context to WWPDB_LOCAL for pdbx_version,
database_PDB_rev and database_PDB_rev_record
+ Add ssbond to enumeration for pdbx_data_processing_status.status
+ Set WWPDB_LOCAL context for em_2d_crystal_entity.c_sampling_length in
v5_next but not v5rc.
5.271 2017-03-09
Changes (ep):
+ Add category group assignments for pdbx_unobs_or_zero_occ_residues,
pdbx_unobs_or_zero_occ_atoms, pdbx_struct_mod_residue,
pdbx_distant_solvent_atoms, _pdbx_struct_special_symmetry, pdbx_pdb_compnd,
pdbx_pdb_source
+ Update context values to WWPDB_LOCAL for pdbx_remediation_atom_site_mapping
+ Parent for _pdbx_remediation_atom_site_mapping.auth_alt_id removed.
+ Add MIRAS, SIR to deposition enumeration for _refine.pdbx_method_to_determine_struct
+ Change type for pdbx_hybrid.residue_names to line based on usage
+ Add category keys for pdbx_source and pdbx_refine_ls_restr_ncs
+ To support data from pdb_extract, added pdbx_crystal_alignment category
and updates to exisitin pdbx_phasing_MR, reflns_shell, reflns categories
+ For 4x3 matrix - require space between columns
+ Add new categories to support versioning: pdbx_audit_revision_history,
pdbx_audit_revision_category, pdbx_audit_revision_group, pdbx_audit_revision_item,
pdbx_audit_revision_details
+ For v5rc: Set item context on the following to WWPDB_LOCAL:
_atom_site.Cartn_x_esd, _atom_site.Cartn_y_esd, _atom_site.Cartn_z_esd,
_atom_site.occupancy_esd, _atom_site.B_iso_or_equiv_esd,
_atom_site_anisotrop.U[1][1]_esd, _atom_site_anisotrop.U[2][2]_esd,
_atom_site_anisotrop.U[3][3]_esd, _atom_site_anisotrop.U[1][2]_esd,
_atom_site_anisotrop.U[1][3]_esd, _atom_site_anisotrop.U[2][3]_esd
5.270 2017-03-01
Changes (ep):
+ Update pdbx_struct_assembly_auth_evidence_depositor_info.experimental_support
enumeration to include 'immunoprecipitation'
5.269 2017-02-27
Changes (ep):
+ Add STARANISO to deposition software.name enumeration list
+ Add NSRRC BEAMLINE TPS 05A synchrotron beamline to diffrn.source.type
+ Update deposition example for refins.pdbx_starting_model
+ Add "MAATEL BIODIFF" to diffrn_detector.type
+ Update pdbx_struct_assembly_auth_evidence.experimental_support
enumeration to include 'immunoprecipitation'
5.268 2017-02-17
Changes (ep):
+ Add internal pdbx_binding_assay.auth_comp_id
+ Provide limits for pdbx_binding_assay.assay_pH and
pdbx_binding_assay.assay_temperature
+ Make pdbx_binding_assay.assay_type, pdbx_binding_assay.assay_value and
pdbx_binding_assay.assay_value_type non-mandatory
5.267 2017-02-15
Changes (ep):
+ Export pdbx_entity_instance_feature to public in v5rc
+ For pdbx_entity_instance_feature.comp_id change parent to atom_site.label_comp_id
+ Add parent atom_site.auth_comp_id to pdbx_entity_instance_feature.auth_comp_id
5.266 2017-02-11
Changes (ep):
+ For 4x3_matrix - allow spaces at start of row
+ add pdbx_struct_assembly_auth_evidence_depositor_info. Change parent of pdbx_struct_assembly_gen_depositor_info
to pdbx_struct_assembly_depositor_info
+ export pdbx_binding_assay to public in v5rc
5.265 2017-02-05
Changes (ep):
+ Add BRUKER TURBO X-RAY SOURCE and OXFORD DIFFRACTION NOVA to list of
X-ray sources for deposition system.
+ Define 4x3_matrix, id_list, symmetry_operation as regular expressions
for use in deposition system to validate
pdbx_struct_assembly_gen_depositor_info
+ Add pdbx_struct_assembly_gen_depositor_info.symmetry_operation
5.264 2017-01-05
Changes (ep/M. Hekkelman):
+ Change _pdbx_struct_assembly_gen_depositor_info.chain_id_list non-mandatory
+ Correct inconsistent mandatory setting for _atom_site.label_alt_id,
_atom_site.label_comp_id, _atom_site.label_atom_id,
_diffrn_refln.wavelength_id, _atom_site.label_entity_id,
_atom_site.label_seq_id, _refln.wavelength_id, _atom_site.label_asym_id,
_struct_conn.ptnr1_label_atom_id, _struct_conn.ptnr2_label_atom_id,
_struct_mon_prot_cis.label_alt_id, _struct_site_gen.label_alt_id
+ Split up pdbx_struct_assembly_auth_evidence into
pdbx_struct_assembly_auth_classification. Export categories to v5rc
+ Make _pdbx_struct_assembly_gen_depositor_info.chain_id_list,
_pdbx_struct_assembly_gen_depositor_info.full_matrices,
_pdbx_struct_assembly_gen_depositor_info.at_unit_matrix,
non-mandatory for archive, but mandatory depui
+ Make pdbx_nmr_refine.software_ordinal a key for category internally
+ Add adamantane to _pdbx_nmr_chem_shift_ref.mol_common_name enumeration
5.263 2017-01-03
Changes (jw/ep):
+ add units micrometres, micrometres_squared, teraphotons_per_pulse, kiloelectron_volts,
microjoules, hertz, femtoseconds, microliters_per_min
+ add category group xfel_group
+ incorporate draft xfel dictionary extension
+ incorporate draft diffraction data extension and supporting category group
+ Add _pdbx_struct_assembly_gen_depositor_info.all_chains
5.262 2016-12-19
Changes (ep/jb):
+ Update pdbx_struct_assembly_gen_depositor_info category for better support
of assemblies.
+ Add pdbx_entity_instance_feature.auth_seq_num and auth_comp_id
+ Add DECTRIS EIGER X 500K to diffrn_detector.type
+ Add "FRM II BEAMLINE BIODIFF" to diffrn_source.type
+ Remove context for audit_author.identifier_ORCID
+ Item context added for audit_author.address
5.261 2016-12-06
Changes (ep/esg/cl):
+ Allow 0.0 in range for emd_crystallography_stats.overall_phase_error
+ emd_recombinant_expression.plasmid: make non-mandatory
+ Reclassify the category_group for em_ categories
+ Add pdbx_biocurator_comment and pdbx_depositor_comment
5.260 2016-11-30
Changes (jdw):
+ Add item _audit_author.identifier_ORCID
+ Add category pdbx_entity_instance_feature
5.259 2016-11-30
Changes (ep):
+ Allow 0.0 in range for em_diffraction_stats.overall_phase_error
+ _em_entity_assembly_recombinant.plasmid: make non-mandatory
+ Flag _em_helical_entity, em_helical_entity.hand,
_em_single_particle_entity, _em_virus_entity.ictvdb_id, as deprecated
in V5RC and provide forward reference possible.
5.258 2016-11-29
Changes (ep):
+ Add missing detectors to em_image_recording.file_or_detector_model
+ Add HITACHI EF3000 to em_imaging.microscope_model
+ For deprecated em_* categories, change context to WWPDB_DEPRECATED and
provide mapping to replacement
5.257 2016-11-22
Changes (ep):
+ struct_keywords.pdbx_keywords add documented enumerations
+ pdbx_released_exp_data_set.data_set_type add EMPIAR
+ diffrn_detector.type: Add Bruker PHOTON II, TVIPS TEMCAM-F416
+ diffrn_source.type add Excillum MetalJet sealed tube generators
+ pdbx_data_processing_status.task_name: update examples and provide
annotation enumeration
+ make pdbx_nmr_refine.software_ordinal a key for category
+ em_entity_assembly_molwt: Make units and value non-mandatory
5.256 2016-10-18
Changes (ep):
+ em_vitrification.instrument add ZEISS PLUNGE FREEZER CRYOBOX
+ Add em_3d_reconstruction/emd_final_reconstruction refinement_type
attribute to replace fsc_type.
+ _emd_admin.hold_expiry_date renamed _emd_admin.map_hold_date
5.255 2016-09-28
Changes (ep):
+ Add range limits for reflns.pdbx_CC_half and reflns_shell.pdbx_CC_half
+ Add pdbx_deposit_group.group_title and pdbx_deposit_group.group_description
+ emd_microscopy.microscope add FEI/PHILIPS CM10
+ em_imaging.microscope_model add FEI/PHILIPS CM10, JEOL 100B, SIEMENS SULEIKA
+ Enhanced EM extension dictionary
+ Add_ndb_struct_na_base_pair.propel as alias for _ndb_struct_na_base_pair.propeller
5.254 2016-09-19
Changes (ep):
+ Extend enumeration for pdbx_nmr_chem_shift_ref.mol_common_name to include
'methionine' and 'deuterium oxide'
+ Add SLAC sector MFX
+ Correct example for pdbx_reference_linked_entity_link
+ Enhanced EM extension dictionary
5.253 2016-08-26
Changes (ep):
+ Add enumeration for emd_map.contour_level_source and em_map.contour_level_source
5.252 2016-07-27
Changes (ep):
+ emd_virus_shell.triangulation and _em_virus_shell.triangulation, changle value to positive integer
+ Add DECTRIS PILATUS3 R CdTe detectors to diffrn_detector.type
5.251 2016-07-05
Changes (ep):
+ Change description of reflns.pdbx_CC_half and reflns_shell.pdbx_CC_half
to refer to a decimal value.
+ Remove local context for _pdbx_deposit_group.group_id
+ Update enumerations for _pdbx_nmr_chem_shift_ref.atom_group and
_pdbx_nmr_exptl_sample_conditions.pH_units
+ Description updates to several emd related categories
+ Deposition updates to BRUKER IMUS MICROFOCUS source and RAYONIX
MX225-HS/MX170-HS detectors
+ Range limits for reflns.pdbx_CC_half
+ _pdbx_item_linked_group and _pdbx_item_linked_group_list updates for
pdbx_chem_comp_model_*, em_*, emd_* and_pdbx_struct_special_symmetry
categories
5.250 2016-06-04
Changes (ep):
+ Reduce _pdbx_nmr_exptl_sample_conditions.temperature_units enumeration for deposition system
+ Add deposition system enumeration _diffrn_detector.type with numerous DECTRIS detectors
+ Update examples for:
_em_author_list
_em_depui
_em_grid_pretreatment
_em_diffraction
_em_diffraction_shell
_em_diffraction_stats
_em_final_classification
_em_euler_angle_assignment
_em_ctf_correction
_em_image_processing
_em_fsc_curve
_emd_microscopy
_emd_image_recording
_pdbx_deposit_group_index
_pdbx_entity_src_gen_depositor_info
+ Create parent/child definitions for:
_em_imaging.specimen_id
_em_image_scans.image_recording_id
_em_3d_reconstruction.image_processing_id
_em_diffraction_stats.image_processing_id
_em_image_recording.imaging_id
_em_final_classification.image_processing_id
_em_startup_model.image_processing_id
_em_euler_angle_assignment.image_processing_id
_em_ctf_correction.image_processing_id
_em_volume_selection.image_processing_id
_em_image_processing.image_recording.id
_emd_microscopy.emd_specimen_id
_emd_image_recording.emd_microscopy_id
_emd_image_digitization.emd_image_recording_id'
_emd_image_processing.emd_image_recording_id'
_emd_startup_model.emd_image_processing_id
_emd_angle_assignment.emd_image_processing_id
_emd_final_reconstruction.emd_image_processing_id
_emd_final_classification.emd_image_processing_id
_emd_particle_selection.emd_image_processing_id
_emd_volume_selection.emd_image_processing_id
_emd_ctf_correction.emd_image_processing_id
_emd_crystallography_stats.emd_image_processing_id
5.249 2016-05-24
Changes (ep):
+ deposition _software.name enumerations updated (CRANK, CRANK2, EVAL15, KYLIN)
+ Add AichiSR synchrotron and beamline BL2S1 to deposiiton diffrn_source
+ Add 'dipolar recoupling' and 'spin diffusion' to _pdbx_nmr_constraint_file.constraint_subtype
+ Add DECTRIS PILATUS3 R 300K detector
+ Update examples to include correct items:
_pdbx_audit_conform_extension
_pdbx_chem_comp_depositor_info
_pdbx_chem_comp_instance_depositor_info
_pdbx_depui_upload
_pdbx_deposition_message_info
_pdbx_deposition_message_file_reference
_pdbx_struct_ref_seq_depositor_info
_em_db_reference
_em_entity_assembly_molwt
_em_entity_assembly_naturalsource
_em_image_recording
_em_interpret_figure
_em_structure_factors_depositor_info
_em_volume_selection
_em_particle_selection
_em_mask_depositor_info
_pdbx_struct_special_symmetry
_pdbx_reference_publication_list
_pdbx_nmr_chem_shift_ref
_pdbx_nmr_chem_shift_reference
_pdbx_reference_entity_poly_link
5.248 2016-05-03
Changes (ep):
+ CAPRI added to _pdbx_database_status.methods_development_category
+ Correct pdbx_nmr_chem_shift_ref.mol_common_name enumeration
+ Add RDC to pdbx_nmr_constraint_file.constraint_subtype enumeration
+ Correct limits of em_3d_crystal_entity.space_group_num
+ EMD updates to status (HOLD8W), remove 'JEM3400FSC CRYOHOLDER', add new microscopes
5.247 2016-04-27
Changes (ep):
+ deposition beamline enumeration updates
+ add extensions to support pdbx_struct_assembly evidence
5.246 2016-04-11
Changes (ep):
+ deposition beamline enumeration updates
5.245 2016-04-02
Changes (PDBj):
+ _diffrn_source.type/_diffrn_source.pdbx_synchrotron_beamline deposition enumeration update BL-21 -> PX-BL21
5.244 2016-03-31
Changes (jw):
+ add extensions to capture results from ligand binding assays
5.243 2016-03-25
Changes (jy,zf):
+ add extensions for group depositions
5.242 2016-03-21
Changes (jw):
+ add regular expression for ORCID
5.241 2016-03-08
Changes (ep):
+ Update local context for selected em_* categories.
+ Update internal enumerations for detectors and secondary structure types.
5.240 2016-02-24
Changes (cl,ep):
+ Update local context for selected em_* categories.
+ Add internal data item _pdbx_database_status.auth_req_rel_date
5.239 2016-02-09
Changes (cl,ap):
+ enumeration update for item _em_imaging.specimen_holder_model
and _emd_microscopy.specimen_holder_model
+ set local context for categories em_virus_natural_host and em_virus_shell
5.238 2016-02-03
Changes (jy):
+ enumeration update for item _pdbx_database_status.methods_development_category
5.237 2016-02-01
Changes (es):
+ update enumerations and descriptions for EMD data items -
5.236 2016-01-26
Changes (cl,ep):
+ update enumerations and descriptions for EM data items -
5.235 2016-01-21
Changes (jw):
+ update context for EM data items -
+ add _em_admin.map_hold_date
5.234 2016-01-06
Changes (ep):
+ description text updates
5.233 2015-12-08
Changes (cl,ep):
+ EM extension update
5.232 2015-12-07
Changes (ep):
+ enumeration updates
5.231 2015-12-04
Changes (cl):
+ EM extension update
5.230 2015-12-03
Changes (es):
+ EMD extension update
5.229 2015-12-03
Changes (jdw):
+ Category context changed for pdbx_nmr_spectral_peak_list
5.228 2015-11-28
Changes (es):
+ EMD extension update
5.227 2015-11-24
Changes (ep):
+ DCC extension update
5.226 2015-11-24
Changes (cl):
+ EM extension update
5.225 2015-11-24
Changes (es):
+ EMD extension update
5.224 2015-11-19
Changes (es):
+ EMD extension update
5.223 2015-11-11
Changes (jw):
+ Adjust local context for selected NMR and EM data categories.
5.222 2015-11-11
Changes (es):
+ EMD extension update
5.221 2015-11-02
Changes (ep):
+ Enumeration updates
5.220 2015-10-30
Changes (ep):
+ Enumeration updates
5.219 2015-10-22
Changes (cl):
+ EM extension update
5.218 2015-10-22
Changes (es):
+ EMD extension update
5.217 2015-10-15
Changes (jw):
+ add item _pdbx_depui_entry_details.wwpdb_site_id
5.216 2015-10-14
Changes (cl):
+ Add _emd_admin.header_release_date, _emd_admin.obsoleted_date and _em_admin.header_release_date
5.215 2015-10-13
Changes (es):
+ EMD extension update
5.214 2015-10-08
Changes (ep):
+ Enumeration updates
+ regex update for type author
5.213 2015-10-01
Changes (jdw):
+ _pdbx_nmr_systematic_chem_shift_offset.ordinal replaces the natural category key for this category.
+ Enumeration updates
5.212 2015-09-08
Changes (cl):
+ EM extension update
5.211 2015-09-08
Changes (es):
+ EMD extension update
5.210 2015-08-31
Changes (cl,jw):
+ EM extension update
5.209 2015-08-30
Changes (ep,jw):
+ Enumeration updates
5.208 2015-08-14
Changes (cl,jw):
+ EM extension update
5.207 2015-08-06
Changes (ep,jw):
+ enumeration updates
5.206 2015-07-20
Changes (jw):
+ add new category pdbx_audit_conform_extension
5.205 2015-07-17
Changes (ep,jw):
+ enumeration updates
5.204 2015-07-06
Changes (es,cl):
+ EMD data type refinement
5.203 2015-06-30
Changes (es):
+ EMD data type refinement
5.202 2015-06-26
Changes (es):
+ EMD regular expression update
5.201 2015-06-24
Changes (es):
+ EMD extension update
5.200 2015-06-19
Changes (cl):
+ EMD extension update
5.199 2015-06-09
Changes (cl):
+ EMD extension update
5.198 2015-06-03
Changes (es,cl,jdw):
+ EMD extension update
5.197 2015-05-06
Changes (ep,ms,jdw):
+ enumeration updates
5.196 2015-04-30
Changes (ep,jdw):
+ enumeration updates
5.195 2015-04-28
Changes (es,jdw):
+ EMD extension dictionary update
5.194 2015-04-22
Changes (ep,jdw):
+ enumeration updates
+ add item _pdbx_contact_author.identifier_ORCID.
+ add chem_comp_model_group extensions.
5.193 2015-03-31
Changes (cs,jdw):
+ remove relationship between _pdbx_reference_entity_subcomponents.prd_id and _pdbx_reference_molecule_list.prd_id
5.192 2015-03-18
Changes (ep,jdw):
+ Add item _pdbx_depui_entry_details.replace_pdb_id
+ Enumeration updates
5.191 2015-03-10
Changes (es,jdw):
+ EMD extension dictionary update
5.190 2015-02-28
Changes (ep,jdw):
+ Enumeration updates -
+ removed _pdbx_poly_seq_scheme.hetero relationship with _entity_poly_seq.hetero
5.189 2015-02-20
Changes (es,ep,jdw):
+ EMD extension dictionary update
+ Enumeration updates
5.188 2015-02-10
Changes (es,jdw):
+ EMD extension dictionary update
5.187 2015-02-03
Changes (es,cl,jdw):
+ EMD extension dictionary update
5.186 2015-02-01
Changes (zf,jdw):
+ NMR updates for deposition system
5.185 2014-12-17
Changes (ag,ep,jdw):
+ NMR updates for deposition system
5.184 2014-12-02
Changes (es,jdw):
+ EMD extension dictionary update
5.183 2014-11-21
Changes (es,cl,jdw):
+ EMD extension dictionary update
5.182 2014-11-07
Changes (ag,ez,jdw):
+ NMR updates for deposition system -
5.181 2014-10-28
Changes (ag,ez,jdw):
+ NMR updates for deposition system -
5.180 2014-10-21
Changes (es,cl,jdw):
+ EMD dictionary update - make all categories optional --
5.179 2014-10-20
Changes (es,cl,jdw):
+ EMD dictionary update
5.178 2014-10-14
Changes (ep,jdw):
+ update enumerations for deposition system.
5.177 2014-09-25
Changes (ep,jdw):
+ update detector enumerations for deposition system.
5.176 2014-09-11
Changes (to,jdw):
+ add _pdbx_depui_validation_status_flags.residual_B_factors_flag
5.175 2014-09-10
Changes (ep,jdw):
+ update of NMR alternative mandatory codes and examples
5.174 2014-09-02
Changes (cl,ep,jdw):
+ update of EM extensions definitions, examples and enumerations
5.173 2014-08-28
Changes (cl,jdw):
+ update of EM extensions definitions, examples and enumerations
5.172 2014-07-30
Changes (cl,jdw):
+ update of EM extensions definitions, examples and enumerations
5.171 2014-07-21
Changes (jdw):
+ _pdbx_depui_status_flags.has_viewed_validation_report made optional
5.170 2014-07-17
Changes (cl,ep,jdw):
+ update of enumerations for 3DEM and other deposition forms.
5.169 2014-07-16
Changes (ep,jdw):
+ update of enumerations for deposition forms.
5.168 2014-07-10
Changes (cl,ep,jdw):
+ update of EM extensions definitions, examples and enumerations
+ update of enumerations for deposition forms.
5.167 2014-06-15
Changes (jdw):
+ added _pdbx_depui_status_flags.validated_model_file_name, _pdbx_depui_status_flags.merge_prior_model_file_name,
_pdbx_depui_status_flags.merge_replace_model_file_name, _pdbx_depui_status_flags.merge_output_model_file_name
+ Corrected/removed item-linked relation to _struct_ref_seq_dif.db_mon_id.
+ Updated _refine.pdbx_method_to_determine_structure
+ Update examples in category pdbx_data_processing_status
5.166 2014-06-06
Changes (jdw):
+ Add item _pdbx_struct_conn_angle.ptnr3_symmetry
+ Add category pdbx_database_status_history
5.165 2014-06-05
Changes (cl/jdw):
+ Update em extensions and add deposition specific em categories -
+ Add save__pdbx_depui_status_flags.has_viewed_validation_report
5.164 2014-06-03
Changes (jdw):
+ Update mandatory codes in category pdbx_database_status
5.163 2014-05-30
Changes (jdw):
+ remove redundant mandatory code for _pdbx_database_status.data_hold_nmr_contraints
5.162 2014-05-08
Changes (ep/jdw):
+ update enumerations in category software
5.161 2014-05-07
Changes (jdw):
+ update enumerations in category pdbx_SG_project
5.160 2014-05-02
Changes (jdw):
+ Items _entity_src_gen.pdbx_src_id, _entity_src_nat.pdbx_src_id _pdbx_entity_src_syn.pdbx_src_id added to
category key and set to mandatory code = yes.
+ Update internal enumerations for deposition system.
5.159 2014-04-10
Changes (cl/jdw):
+ Update in EM extension dictionary in support of new deposition system.
5.158 2014-04-03
Changes (jdw):
+ Make context for _entity_poly.pdbx_explicit_linking_flag local.
+ extend enumeration for _pdbx_contact_author.id.
5.157 2014-03-28
Changes (ep/jdw):
+ Update internal enumerations and boundary values for deposition system -
5.156 2014-03-24
Changes (ep/jdw):
+ Update detector enumerations
5.155 2014-03-12
Changes (hy/jdw):
+ Add preliminary items for _reflns.pdbx_CC_half,_reflns.pdbx_R_split,_reflns_shell.pdbx_CC_half and _reflns_shell.pdbx_R_split.
5.154 2014-03-10
Changes (ag/eu/jdw):
+ Update deposition closed enumeration flags for NMR extension definitions.
5.153 2014-03-07
Changes (eu/jdw):
+ add item _pdbx_nmr_refine.software_ordinal
+ update enumeration for _pdbx_database_status.dep_release_code_struct_fact
5.152 2014-03-04
Changes (ep/jdw):
+ change type of _pdbx_struct_assembly_depositor_info.oligomeric_count to line
+ update deposition specific enumerations in category software
5.151 2014-03-01
Changes (ep/jdw):
+ update deposition specific enumerations in category pdbx_database_related
5.150 2014-02-25
Changes (cl/ep/jdw):
+ update EM deposition specific metadata items.
5.149 2014-02-20
Changes (jdw):
+ update deposition mandatory codes and enumerations.
5.148 2014-02-19
Changes (jdw):
+ update regular expressions one-letter code sequences
+ add mandatory codes to pdbx_nmr_chem_shift_ref and pdbx_nmr_constraint_file
5.147 2014-02-18
Changes (jdw):
+ update diffraction detector enumerations/
5.146 2014-02-11
Changes (eu/jdw):
+ new items _pdbx_nmr_software.details,_pdbx_nmr_exptl_sample.concentration_err,_pdbx_nmr_spectrometer.name,
_pdbx_nmr_assigned_chem_shift_list.conditions_label,_pdbx_nmr_spectral_dim.sweep_width_units,
_pdbx_nmr_spectral_dim.center_frequency_offset,_pdbx_nmr_spectral_dim.under_sampling_type,
_pdbx_nmr_chem_shift_software.software_label
+ updates for deposition enumerations and mandator codes for NMR extensions.
5.145 2014-02-10
Changes (cl/jdw):
+ Update of enumerations for 3DEM extension dictionary.
+ Add categories pdbx_depui_entry_details and pdbx_data_processing_status.
+ Added definitions _atom_type.pdbx_scat_Cromer_Mann_a5,_atom_type.pdbx_scat_Cromer_Mann_b5,_refine.pdbx_average_fsc_overall,
_refine.pdbx_average_fsc_work,_refine.pdbx_average_fsc_free,_refine_ls_shell.pdbx_fsc_work,_refine_ls_shell.pdbx_fsc_free,
_refine_hist.pdbx_number_residues_total,_refine_hist.pdbx_B_iso_mean_ligand,_refine_hist.pdbx_B_iso_mean_solvent,
_atom_site_anisotrop.pdbx_PDB_model_num
5.144 2014-02-06
Changes (cl/jdw):
+ Update of enumerations for save__em_experiment.reconstruction_method
5.143 2014-01-24
Changes (ep/jdw):
+ Update of internal descriptions and enumerations for deposition system.
5.142 2014-01-23
Changes (ep/jdw):
+ Update of internal descriptions and enumerations for deposition system.
5.141 2014-01-21
Changes (ep/jdw):
+ Update of internal descriptions and enumerations for deposition system.
5.140 2014-01-20
Changes (ep/jdw):
+ Update of internal descriptions and enumerations for deposition system.
5.139 2014-01-17
Changes (jdw):
+ Update enumerations for item _pdbx_database_status.status_code
+ add category pdbx_related_exp_data_set
+ In pdbx_related_exp_data_set limit references to DOI types
+ Update item descriptions and examples for _pdbx_depui_entity_features.type,_entity_poly.pdbx_target_identifier,_reflns.pdbx_Rsym_value,
_refine.pdbx_solvent_vdw_probe_radii,_refine.pdbx_solvent_ion_probe_radii,_citation.pdbx_database_id_DOI,_entity.pdbx_description,
and _exptl_crystal_grow.pdbx_details.
+ Update of internal descriptions and enumerations for deposition system.
5.138 2013-12-20
Changes (jdw):
+ Update mandatory codes for category pdbx_contact_author.
+ Update enumerations for category software.
5.137 2013-12-10
Changes (jdw):
+ Update mandatory codes for category pdbx_contact_author.
+ Update enumerations for category software.
5.136 2013-11-22
Changes (cl/jdw):
+ new EMD mapping extension dictionary added.
+ local context of _pdbx_database_status.status_code_sf removed.
+ Update context to WWPDB_LOCAL for item _entity_poly.pdbx_sequence_evidence_code
+ Update context values to WWPDB_LOCAL for categories database_PDB_remark and pdbx_contact_author
+ multiple updates of EMD/EM extensions.
+ category group updates
5.135 2013-10-17
Changes (jdw):
+ added _pdbx_depui_upload.file_content_type and remove enumeration from
_pdbx_depui_upload.file_type.
+ includes any local meta-data changes coded into the deposition system.
+ update internal metadata for deposition system
+ add data categories for messaging pdbx_deposition_message_file_reference and pdbx_deposition_message_info
+ update mandatory codes and category group assignments
+ Reassign context RCSB_LOCAL to WWPDB_LOCAL
+ update software application enumerations.
+ Update category and item item context values in categories audit_contact_author, pdbx_database_proc, pdbx_entity_name,
struct_biol_gen, atom_site and pdbx_database_status.
+ add internal items _pdbx_database_status.date_begin_processing, _pdbx_database_status.date_end_processing,
_pdbx_database_status.date_begin_deposition, _pdbx_database_status.date_begin_release_preparation,
_pdbx_database_status.date_author_release_request
5.134 2013-08-27
Changes (jdw):
+ Added status flags --
_pdbx_depui_status_flags.is_ligand_processing_complete
_pdbx_depui_status_flags.sample_xyz_sequence_alignments_valid
_pdbx_depui_entity_status_flags.sample_xyz_sequence_alignments_valid
+ Added local category context to all internal categories.
5.133 2013-06-18
Changes (jdw):
+ updated advisory limits for _reflns_shell.d_res_low and _refine_ls_shell.d_res_low
5.132 2013-06-16
Changes (jdw):
+ add
_pdbx_seq_map_depositor_info.entity_id
_pdbx_seq_map_depositor_info.auth_asym_id
_pdbx_seq_map_depositor_info.one_letter_code
_pdbx_seq_map_depositor_info.one_letter_code_mod
5.131 2013-06-14
Changes (jdw):
+ update enumerations for _pdbx_struct_ref_seq_depositor_info.db_name
5.130 2013-06-14
Changes (jdw):
+ added _pdbx_depui_status_flags.has_accepted_terms_and_conditions
+ updated advisory and hard limits to include equivalence on the boundary endpoints.
5.129 2013-05-29
Changes (jdw):
+ _pdbx_database_status.pdbx_annotator replaces _pdbx_database_status.rcsb_annotator
5.128 2013-05-23
Changes (jdw):
+ add item _entity_poly.pdbx_sequence_evidence_code
5.127 2013-04-27
Changes (jdw):
+ Update alternate descriptions and enumerations for deposition system.
5.126 2013-04-16
Changes (jdw):
+ Set _pdbx_contact_author.role and _pdbx_contact_author.role internally mandatory.
+ Set _pdbx_contact_author.name_mi optional
+ Relax regular expression for _pdbx_struct_ref_seq_depositor_info.db_seq_one_letter_code
+ Set _entity_poly.pdbx_seq_one_letter_code, _entity_src_gen.pdbx_gene_src_scientific_name, _entity_src_nat.pdbx_organism_scientific internally mandatory.
+ Add _pdbx_depui_status_flags.has_helical_symmetry, _pdbx_depui_status_flags.has_point_symmetry, _pdbx_depui_status_flags.has_cyclic_symmetry
+
5.125 2013-04-08
Changes (jdw):
+ add items _pdbx_struct_ref_seq_dif_depositor_info.entity_id and _pdbx_chem_comp_instance_depositor_info.formula
5.124 2013-03-15
Changes (jdw):
+ add optional items _pdbx_validate_main_chain_plane.label_alt_id, _pdbx_validate_planes.lable_alt_id, _pdbx_validate_torsion.label_alt_id
5.123 2013-03-12
Changes (jdw):
+ add category pdbx_depui_entity_features
5.122 2013-03-11
Changes (jdw):
+ add items _pdbx_depui_status_flags.primary_citation_status, _pdbx_depui_status_flags.reference_citation_status,
_pdbx_depui_status_flags.corresponding_author_status
5.121 2013-03-07
Changes (jdw):
+ bulk import of RCSB local enumerations into internal pdbx_item_enumeration containers,
5.120 2013-03-01
Changes (jdw):
+ consolidated pdbx_struct_ref_depositor_info into pdbx_struct_ref_seq_depositor_info
5.119 2013-02-20
Changes (jdw):
+ restore main public version of mmcif_pdbx-def-2.dic
+ added _pdbx_depui_status_flags.prediction_target and category pdbx_depui_entity_status_flags
5.118 2013-02-20
Changes (jdw):
+ Added internal category pdbx_chem_comp_upload_depositor_info to hold potentially multiple
data files per chemical component.
5.117 2013-02-13
Changes (jdw):
+ Added internal categories -depui_validation_status_flags, pdbx_depui_upload, pdbx_depui_status_flags
5.116 2013-02-13
Changes (jdw):
+ added _pdbx_helical_symmetry_depositor_info.status_flag and _pdbx_point_symmetry_depositor_info.status_flag
+ updated the collection of advisory boundary values --
5.115 2013-02-06
Changes (jdw,kh):
+ Add categories pdbx_chem_comp_subcomponent_struct_conn and pdbx_chem_comp_subcomponent_entity_list.
+ For item _pdbx_chem_comp_subcomponent_entity_list.type change data type to uline and extend enumeration.
+ Set mandatory codes to optional for categories emd, emd_map and pdbx_nmr_software_task
5.114 2012-12-14
Changes (eu,ag):
+ Added items _pdbx_nmr_assigned_chem_shift_list.label, _pdbx_nmr_assigned_chem_shift_list.conditions_label,
_pdbx_nmr_spectral_peak_list.label, and _pdbx_nmr_spectral_peak_list.conditions_label
5.113 2012-12-04
Changes (eu,ag):
+ Add _pdbx_nmr_exptl.sample_state
5.112 2012-11-12
Changes (cl,jdw):
+ Update to the 3DEM data categories -
5.111 2012-11-08
Changes (cl,jdw):
+ Update to the 3DEM data categories -
5.110 2012-11-07
Changes (ss,sv,jdw):
+Added item _pdbx_entity_src_gen_depositor_info.entity_id
+Removed item _pdbx_entity_src_gen_depositor_info.alt_source_flag and _pdbx_entity_src_gen_depositor_info.gene_src_strain
+Items _pdbx_entity_src_gen_depositor_info.beg_seq_num and _pdbx_entity_src_gen_depositor_info.end_seq_num set to mandatory
+Data types for _pdbx_entity_src_gen_depositor_info.host_org_ncbi_taxonomy_id set to int
5.109 2012-10-15
Changes (jdw):
+ pdbx_chem_comp_instance_depositor_info
+ Update joint enumerations for _pdbx_reference_molecule.class.
+ Update enumeration list for _em_imaging.specimen_holder_model
5.108 2012-10-03
Changes (jdw):
+ Adjust mandatory codes for items in the pdbx_contact_author category.
+ Update all current extension dictionaries in
+ Correct version number typo.
5.107 2012-09-19
Changes (jdw):
+ Rename categories to: pdbx_reference_linked_entity, pdbx_reference_linked_entity_comp_list,
pdbx_reference_linked_entity_link, and pdbx_reference_linked_entity_comp_link
and distinguish inter and intra entity linkages.
+ Revised enumeration for _pdbx_reference_linked_entity.link_to_entity_type
5.106 2012-09-18
Changes (jdw):
+ remove existing EM dictionary which duplicates new EM item definitions
+ add categories pdbx_reference_linked_entity, pdbx_reference_linked_entity_list, pdbx_reference_linked_entity_link.
5.105 2012-09-06
Changes (jdw):
+ Revised definition of _struct_conn.pdbx_leaving_atom_flag.
+ Add definition _pdbx_solvent_atom_site_mapping.symmetry/symmetry_as_xyz
5.104 2012-09-01
Changes (jdw):
+ Added category pdbx_audit_support extension.
+ Incorporated D&A alternate descriptions and boundary values.
5.103 2012-08-29
Changes (jdw/jy):
+ Update enumerations for _pdbx_family_prd_audit.action_type and _pdbx_prd_audit.action_type
+ Update enumerations for _pdbx_reference_molecule.class/type, _pdbx_molecule_features.class/type
+ Added category for publication reference data - PDBX_REFERENCE_PUBLICATION_LIST
5.102 2012-08-28
Changes (jdw/cl):
+ added category group em_group_da
+ added EM extension dictionaries for D&A project.
_em_experiment.entry_id
_em_experiment.reconstruction_method
_em_experiment.specimen_type
_em_software.ordinal
_em_software.classification
_em_software.name
_em_software.version
_em_assembly.entry_id
_em_assembly.name
_em_assembly.composition
_em_assembly.num_components
_em_assembly.mol_wt_exp
_em_assembly.mol_wt_theo
_em_assembly.mol_wt_method
_em_assembly.details
_em_entity_assembly.id
_em_entity_assembly.type
_em_entity_assembly.name
_em_entity_assembly.details
_em_entity_assembly.organism_scientific
_em_entity_assembly.organism_common
_em_entity_assembly.strain
_em_entity_assembly.tissue
_em_entity_assembly.cell
_em_entity_assembly.organelle
_em_entity_assembly.cellular_location
_em_entity_assembly.engineered_flag
_em_entity_assembly.expression_system
_em_entity_assembly.expression_system_plasmid
_em_entity_assembly.go_id
_em_entity_assembly.ipr_id
_em_entity_assembly.ncbi_taxonomy_id
_em_entity_assembly.synonym
_em_entity_assembly.mutant_flag
_em_entity_assembly.number_of_copies
_em_entity_assembly.oligomeric_details
_em_entity_assembly.entity_list
_em_entity_assembly.mol_wt
_em_entity_assembly.mol_wt_method
_em_entity_assembly.entity_parent_id
_em_virus_entity.id
_em_virus_entity.virus_host_category
_em_virus_entity.virus_host_species
_em_virus_entity.virus_host_ncbi_taxonomy_id
_em_virus_entity.virus_host_growth_cell
_em_virus_entity.virus_type
_em_virus_entity.virus_isolate
_em_virus_entity.entity_assembly_id
_em_virus_entity.enveloped
_em_virus_entity.empty
_em_virus_entity.details
_em_icos_virus_shells.virus_entity_id
_em_icos_virus_shells.id
_em_icos_virus_shells.shell_diameter
_em_icos_virus_shells.triangulation_num
_em_specimen.id
_em_specimen.sample_state
_em_specimen.num_grids
_em_specimen.cryoprotectant
_em_specimen.embedding_material
_em_specimen.details
_em_sample_preparation.id
_em_sample_preparation.specimen_id
_em_sample_preparation.entity_assembly_id
_em_sample_preparation.ph
_em_sample_preparation.buffer_id
_em_sample_preparation.sample_concentration
_em_sample_preparation.details
_em_specimen_support.id
_em_specimen_support.specimen_id
_em_specimen_support.method
_em_specimen_support.grid_model
_em_specimen_support.grid_material
_em_specimen_support.grid_mesh_size
_em_specimen_support.grid_type
_em_specimen_support.pretreatment
_em_specimen_support.details
_em_specimen_support.film_material
_em_specimen_support.film_topology
_em_specimen_support.film_thickness
_em_array_formation.id
_em_array_formation.specimen_id
_em_array_formation.method
_em_array_formation.apparatus
_em_array_formation.atmosphere
_em_array_formation.pH
_em_array_formation.temp
_em_array_formation.time
_em_array_formation.buffer_id
_em_array_formation.details
_em_array_formation.number_arrays
_em_array_formation.mean_2d_crystal_size
_em_stain.id
_em_stain.specimen_id
_em_stain.type
_em_stain.material
_em_stain.details
_em_buffer.id
_em_buffer.name
_em_buffer.details
_em_buffer_components.id
_em_buffer_components.buffer_id
_em_buffer_components.name
_em_buffer_components.conc
_em_buffer_components.conc_units
_em_buffer_components.details
_em_vitrification.id
_em_vitrification.specimen_id
_em_vitrification.cryogen_name
_em_vitrification.freezing_technique
_em_vitrification.humidity
_em_vitrification.temp
_em_vitrification.ambient_temp
_em_vitrification.instrument
_em_vitrification.method
_em_vitrification.time_resolved_state
_em_vitrification.details
_em_imaging.id
_em_imaging.astigmatism
_em_imaging.electron_beam_tilt_params
_em_imaging.specimen_id
_em_imaging.detector_id
_em_imaging.scans_id
_em_imaging.microscope_model
_em_imaging.specimen_holder_model
_em_imaging.details
_em_imaging.date
_em_imaging.accelerating_voltage
_em_imaging.illumination_mode
_em_imaging.mode
_em_imaging.nominal_cs
_em_imaging.nominal_defocus_min
_em_imaging.nominal_defocus_max
_em_imaging.tilt_angle_min
_em_imaging.tilt_angle_max
_em_imaging.tilt_angle_increment
_em_imaging.second_tilt_axis_flag
_em_imaging.nominal_magnification
_em_imaging.calibrated_magnification
_em_imaging.electron_source
_em_imaging.electron_dose
_em_imaging.energy_filter
_em_imaging.energy_window_min
_em_imaging.energy_window_max
_em_imaging.temperature
_em_imaging.cryogen
_em_imaging.detector_distance
_em_imaging.recording_temperature_minimum
_em_imaging.recording_temperature_maximum
_em_imaging.c2_aperture_diameter
_em_imaging.alignment_procedure
_em_imaging.Cs_corrector
_em_imaging.Cc_corrector
_em_imaging.phase_plate
_em_detector.id
_em_detector.details
_em_detector.class
_em_detector.type
_em_detector.detective_quantum_efficiency
_em_image_scans.id
_em_image_scans.number_digital_images
_em_image_scans.details
_em_image_scans.scanner_model
_em_image_scans.scanner_sampling_size
_em_image_scans.apix_sampling
_em_image_scans.od_range
_em_image_scans.quant_bit_size
_em_image_scans.width
_em_image_scans.height
_em_image_scans.sampling_size
_em_image_scans.frames_per_image
_em_2d_crystal_symmetry.id
_em_2d_crystal_symmetry.length_a
_em_2d_crystal_symmetry.length_b
_em_2d_crystal_symmetry.angle_gamma
_em_2d_crystal_symmetry.details
_em_2d_crystal_symmetry.angle_alpha
_em_2d_crystal_symmetry.angle_beta
_em_2d_crystal_symmetry.length_c
_em_2d_crystal_symmetry.thickness_c
_em_2d_crystal_symmetry.space_group_name_H-M
_em_point_symmetry.entry_id
_em_point_symmetry.symmetry_type
_em_point_symmetry.cyclic_symmetry
_em_helical_symmetry.id
_em_helical_symmetry.entity_assembly_id
_em_helical_symmetry.details
_em_helical_symmetry.dyad
_em_helical_symmetry.axial_symmetry
_em_helical_symmetry.angular_rotation_per_subunit
_em_helical_symmetry.axial_rise_per_subunit
_em_helical_symmetry.hand
_em_2d_projection_selection.entry_id
_em_2d_projection_selection.num_particles
_em_2d_projection_selection.method
_em_2d_projection_selection.details
_em_3d_reconstruction.entry_id
_em_3d_reconstruction.entity_assembly_id
_em_3d_reconstruction.method
_em_3d_reconstruction.spatial_filtering
_em_3d_reconstruction.masking
_em_3d_reconstruction.details
_em_3d_reconstruction.resolution
_em_3d_reconstruction.resolution_method
_em_3d_reconstruction.magnification_calibration
_em_3d_reconstruction.ctf_correction_method
_em_3d_reconstruction.ctf_correction_type
_em_3d_reconstruction.nominal_pixel_size
_em_3d_reconstruction.actual_pixel_size
_em_3d_reconstruction.num_particles
_em_3d_reconstruction.num_class_averages
_em_3d_reconstruction.software
_em_3d_reconstruction.initial_model_type
_em_3d_reconstruction.initial_model_details
_em_euler_assignment.id
_em_euler_assignment.name
_em_euler_assignment.method
_em_euler_assignment.num_reference_projections
_em_euler_assignment.merit_function
_em_euler_assignment.angular_sampling
_em_euler_assignment.details
_em_electron_crystallography.entry_id
_em_electron_crystallography.num_meas_intensities
_em_electron_crystallography.num_structure_factors
_em_electron_crystallography.details
_em_electron_crystallography.d_res_high
_em_electron_crystallography.overall_phase_residual
_em_electron_crystallography.overall_phase_error
_em_electron_crystallography.rejection_criteria_phase_error
_em_electron_crystallography.Fourier_space_coverage
_em_electron_crystallography.r_merge
_em_electron_crystallography.r_sym
_em_electron_crystallography_shell.id
_em_electron_crystallography_shell.res_low
_em_electron_crystallography_shell.res_high
_em_electron_crystallography_shell.phase_residual
_em_electron_crystallography_shell.num_structure_factors
_em_electron_crystallography_shell.num_meas_intensities
_em_electron_crystallography_tilt.id
_em_electron_crystallography_tilt.tilt_angle
_em_electron_crystallography_tilt.num_diffraction_patterns
_em_electron_crystallography_tilt.num_micrograph_images
_em_tomography.id
_em_tomography.entry_id
_em_tomography.tilt_angle_incr
_em_tomography.num_raw_images
_em_tomography.details
_em_3d_subvolume_selection.entry_id
_em_3d_subvolume_selection.num_subvolumes
_em_3d_subvolume_selection.num_tomograms
_em_3d_subvolume_selection.method
_em_3d_subvolume_selection.details
_em_3d_subvolume_classification.id
_em_3d_subvolume_classification.name
_em_3d_subvolume_classification.method
_em_3d_subvolume_classification.num_classes
_em_3d_subvolume_classification.merit_function
_em_3d_subvolume_classification.details
_em_3d_fitting.id
_em_3d_fitting.method
_em_3d_fitting.target_criteria
_em_3d_fitting.software_name
_em_3d_fitting.details
_em_3d_fitting.overall_b_value
_em_3d_fitting.ref_space
_em_3d_fitting.ref_protocol
_em_3d_fitting_list.id
_em_3d_fitting_list.3d_fitting_id
_em_3d_fitting_list.pdb_entry_id
_em_3d_fitting_list.pdb_chain_id
_em_3d_fitting_list.details
_emd.emd_entry_id
_emd.title
_emd_map.emd_entry_id
_emd_map.annotation_details
_emd_map.format
_emd_map.sizeKb
_emd_map.axisOrderFast
_emd_map.axisOrderMedium
_emd_map.axisOrderSlow
_emd_map.cell_angle_alpha
_emd_map.cell_angle_beta
_emd_map.cell_angle_gamma
_emd_map.cell_length_a
_emd_map.cell_length_b
_emd_map.cell_length_c
_emd_map.data_type
_emd_map.details
_emd_map.num_columns
_emd_map.num_rows
_emd_map.num_sections
_emd_map.origin_column
_emd_map.origin_row
_emd_map.origin_section
_emd_map.pixel_x
_emd_map.pixel_y
_emd_map.pixel_z
_emd_map.spaceGroupNumber
_emd_map.spacing_x
_emd_map.spacing_y
_emd_map.spacing_z
_emd_map.density_min
_emd_map.density_max
_emd_map.density_mean
_emd_map.density_stddev
_emd_map.contour_level
_emd_map.contour_level_source
_emd_files.id
_emd_files.type
_emd_files.file_name
_emd_status.emd_entry_id
_emd_status.current_status
_emd_status.last_update
_emd_status.deposition_date
_emd_status.map_release_date
_emd_status_history.id
_emd_status_history.date
_emd_status_history.code
_emd_status_history.processing_site
_emd_status_history.annotator_initials
_emd_status_history.details
_emd_obsolete_supersede.id
_emd_obsolete_supersede.obsoleted_emd_entry_id
_emd_obsolete_supersede.supersede_emd_entry_id
_emd_obsolete_supersede.date
_emd_obsolete_supersede.details
_emd_auxiliary.id
_emd_auxiliary.link
_emd_auxiliary.link_data_type
_emd_auxiliary.details
_emd_database_related.db_name
_emd_database_related.db_id
_emd_database_related.details
_emd_database_related.frame_relationship_flag
_emd_database_related.fitted_coordinates_flag
_emd_mask.id
_emd_mask.annotation_details
_emd_mask.format
_emd_mask.sizeKb
_emd_mask.axisOrderFast
_emd_mask.axisOrderMedium
_emd_mask.axisOrderSlow
_emd_mask.cell_angle_alpha
_emd_mask.cell_angle_beta
_emd_mask.cell_angle_gamma
_emd_mask.cell_length_a
_emd_mask.cell_length_b
_emd_mask.cell_length_c
_emd_mask.data_type
_emd_mask.details
_emd_mask.num_columns
_emd_mask.num_rows
_emd_mask.num_sections
_emd_mask.origin_column
_emd_mask.origin_row
_emd_mask.origin_section
_emd_mask.pixel_x
_emd_mask.pixel_y
_emd_mask.pixel_z
_emd_mask.spaceGroupNumber
_emd_mask.spacing_x
_emd_mask.spacing_y
_emd_mask.spacing_z
_emd_mask.density_min
_emd_mask.density_max
_emd_mask.density_mean
_emd_mask.density_stddev
_emd_mask.contour_level
_emd_mask.contour_level_source

+ added various items to capture depositor information for the wwPDB
deposition and annotation system.
_pdbx_chem_comp_depositor_info.ordinal
_pdbx_chem_comp_depositor_info.comp_id
_pdbx_chem_comp_depositor_info.name
_pdbx_chem_comp_depositor_info.upload_file_type
_pdbx_chem_comp_depositor_info.upload_file_name
_pdbx_chem_comp_depositor_info.formula
_pdbx_chem_comp_depositor_info.type
_pdbx_chem_comp_depositor_info.descriptor
_pdbx_chem_comp_depositor_info.descriptor_type
_pdbx_chem_comp_depositor_info.detailes
_pdbx_struct_ref_depositor_info.biol_id
_pdbx_struct_ref_depositor_info.db_code
_pdbx_struct_ref_depositor_info.db_name
_pdbx_struct_ref_depositor_info.entity_id
_pdbx_struct_ref_depositor_info.id
_pdbx_struct_ref_depositor_info.db_accession
_pdbx_struct_ref_depositor_info.seq_one_letter_code
_pdbx_struct_ref_depositor_info.align_begin
_pdbx_struct_ref_seq_depositor_info.align_id
_pdbx_struct_ref_seq_depositor_info.db_align_beg
_pdbx_struct_ref_seq_depositor_info.db_align_end
_pdbx_struct_ref_seq_depositor_info.details
_pdbx_struct_ref_seq_depositor_info.ref_id
_pdbx_struct_ref_seq_depositor_info.db_accession
_pdbx_struct_ref_seq_depositor_info.db_code
_pdbx_struct_ref_depositor_info.db_name
_pdbx_struct_ref_seq_depositor_info.db_seq_one_letter_code
_pdbx_struct_ref_seq_dif_depositor_info.align_id
_pdbx_struct_ref_seq_dif_depositor_info.db_mon_id
_pdbx_struct_ref_seq_dif_depositor_info.db_seq_id
_pdbx_struct_ref_seq_dif_depositor_info.details
_pdbx_struct_ref_seq_dif_depositor_info.auth_mon_id
_pdbx_struct_ref_seq_dif_depositor_info.auth_seq_id
_pdbx_struct_ref_seq_dif_depositor_info.db_accession
_pdbx_struct_ref_seq_dif_depositor_info.db_code
_pdbx_struct_ref_dif_depositor_info.db_name
_pdbx_struct_ref_dif_depositor_info.annotation
_pdbx_struct_assembly_prop_depositor_info.biol_id
_pdbx_struct_assembly_prop_depositor_info.type
_pdbx_struct_assembly_prop_depositor_info.value
_pdbx_struct_assembly_prop_depositor_info.details
_pdbx_struct_assembly_depositor_info.details
_pdbx_struct_assembly_depositor_info.id
_pdbx_struct_assembly_depositor_info.method_details
_pdbx_struct_assembly_depositor_info.oligomeric_details
_pdbx_struct_assembly_depositor_info.oligomeric_count
_pdbx_struct_assembly_depositor_info.matrix_flag
_pdbx_struct_assembly_depositor_info.upload_file_name
_pdbx_struct_assembly_gen_depositor_info.asym_id_list
_pdbx_struct_assembly_gen_depositor_info.assembly_id
_pdbx_struct_assembly_gen_depositor_info.oper_expression
_pdbx_struct_oper_list_depositor_info.id
_pdbx_struct_oper_list_depositor_info.type
_pdbx_struct_oper_list_depositor_info.name
_pdbx_struct_oper_list_depositor_info.symmetry_operation
_pdbx_struct_oper_list_depositor_info.matrix[1][1]
_pdbx_struct_oper_list_depositor_info.matrix[1][2]
_pdbx_struct_oper_list_depositor_info.matrix[1][3]
_pdbx_struct_oper_list_depositor_info.matrix[2][1]
_pdbx_struct_oper_list_depositor_info.matrix[2][2]
_pdbx_struct_oper_list_depositor_info.matrix[2][3]
_pdbx_struct_oper_list_depositor_info.matrix[3][1]
_pdbx_struct_oper_list_depositor_info.matrix[3][2]
_pdbx_struct_oper_list_depositor_info.matrix[3][3]
_pdbx_struct_oper_list_depositor_info.vector[1]
_pdbx_struct_oper_list_depositor_info.vector[2]
_pdbx_struct_oper_list_depositor_info.vector[3]
_pdbx_point_symmetry_depositor_info.entry_id
_pdbx_point_symmetry_depositor_info.Schoenflies_symbol
_pdbx_point_symmetry_depositor_info.circular_symmetry
_pdbx_point_symmetry_depositor_info.H-M_notation
_pdbx_helical_symmetry_depositor_info.entry_id
_pdbx_helical_symmetry_depositor_info.number_of_operations
_pdbx_helical_symmetry_depositor_info.rotation_per_n_subunits
_pdbx_helical_symmetry_depositor_info.rise_per_n_subunits
_pdbx_helical_symmetry_depositor_info.n_subunits_divisor
_pdbx_helical_symmetry_depositor_info.dyad_axis
_pdbx_helical_symmetry_depositor_info.circular_symmetry
_pdbx_solvent_atom_site_mapping.id
_pdbx_solvent_atom_site_mapping.label_alt_id
_pdbx_solvent_atom_site_mapping.label_asym_id
_pdbx_solvent_atom_site_mapping.label_atom_id
_pdbx_solvent_atom_site_mapping.label_comp_id
_pdbx_solvent_atom_site_mapping.label_seq_id
_pdbx_solvent_atom_site_mapping.pdbx_align
_pdbx_solvent_atom_site_mapping.PDB_ins_code
_pdbx_solvent_atom_site_mapping.pre_auth_asym_id
_pdbx_solvent_atom_site_mapping.pre_auth_atom_id
_pdbx_solvent_atom_site_mapping.pre_auth_comp_id
_pdbx_solvent_atom_site_mapping.pre_auth_seq_id
_pdbx_solvent_atom_site_mapping.pre_PDB_ins_code
_pdbx_solvent_atom_site_mapping.pre_auth_alt_id
_pdbx_solvent_atom_site_mapping.auth_asym_id
_pdbx_solvent_atom_site_mapping.auth_atom_id
_pdbx_solvent_atom_site_mapping.auth_comp_id
_pdbx_solvent_atom_site_mapping.auth_seq_id
_pdbx_solvent_atom_site_mapping.auth_alt_id
_pdbx_solvent_atom_site_mapping.occupancy
_pdbx_solvent_atom_site_mapping.Cartn_x
_pdbx_solvent_atom_site_mapping.Cartn_y
_pdbx_solvent_atom_site_mapping.Cartn_z
_pdbx_solvent_atom_site_mapping.pre_Cartn_x
_pdbx_solvent_atom_site_mapping.pre_Cartn_y
_pdbx_solvent_atom_site_mapping.pre_Cartn_z
_pdbx_entity_src_gen_depositor_info.alt_source_flag
_pdbx_entity_src_gen_depositor_info.seq_type
_pdbx_entity_src_gen_depositor_info.beg_seq_num
_pdbx_entity_src_gen_depositor_info.end_seq_num
_pdbx_molecule_features_depositor_info.entity_id
_pdbx_molecule_features_depositor_info.class
_pdbx_molecule_features_depositor_info.type
_pdbx_molecule_features_depositor_info.name
_pdbx_molecule_features_depositor_info.details
+ added flag for filtering STRUCT_CONN linkages relative to chemical component
leaving atom assignments.
_struct_conn.pdbx_leaving_atom_flag
5.101 2012-08-22
Changes (jdw):
+ added provisional extension for multi-source entities
+ added provisional extension for branched entities
+ added provisional extension for residues on special positions
+ added provisional extension for NMR data items for D&A deposition system
+ added provisional extension for identifying the ligand in a site
5.100 2012-08-21
Changes (jdw):
+ Release as provisional version 5.100