Supporting Data mmcif_pdbx.dic

Dictionary Revision History

Version Revision Date Revision Description
4.071 2016-03-09
Changes (ep):
+ Add category group assignments for pdbx_unobs_or_zero_occ_residues,
pdbx_unobs_or_zero_occ_atoms, pdbx_struct_mod_residue
+ Update context values to WWPDB_LOCAL for pdbx_remediation_atom_site_mapping
4.070 2016-01-19
Changes (ep/M. Hekkelman):
+ 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
+ Add optional pdbx_nmr_refine.software_ordinal
+ Add adamantane to _pdbx_nmr_chem_shift_ref.mol_common_name enumeration
4.069 2016-12-19
Changes (ep):
+ Add audit_author.identifier_ORCID
+ Item context added for audit_author.address
4.068 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
4.067 2016-09-19
Changes (ep):
+ Extend enumeration for pdbx_nmr_chem_shift_ref.mol_common_name to include
'methionine' and 'deuterium oxide'
4.066 2016-07-05
Changes (ep):
+ Change description of reflns.pdbx_CC_half and reflns_shell.pdbx_CC_half
to refer to a decimal value.
+ Include deposit-group-extension with export of _pdbx_deposit_group.group_id
+ Update enumerations for _pdbx_nmr_chem_shift_ref.atom_group and
_pdbx_nmr_exptl_sample_conditions.pH_units
+ _pdbx_item_linked_group and _pdbx_item_linked_group_list updates for
pdbx_chem_comp_model_*, pdbx_struct_special_symmetry and
pdbx_deposit_group_index
4.065 2016-05-24
Changes (ep):
+ Add 'dipolar recoupling' and 'spin diffusion' to _pdbx_nmr_constraint_file.constraint_subtype
+ Update examples for:
_pdbx_struct_special_symmetry
_pdbx_reference_publication_list
_pdbx_nmr_chem_shift_ref
_pdbx_nmr_chem_shift_reference
_pdbx_reference_entity_poly_link
4.064 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
4.063 2016-03-03
Changes (cl):
+ enumeration update for item _em_vitrification.cryogen_name
4.062 2016-02-09
Changes (cl):
+ enumeration update for item _em_imaging.specimen_holder_model
4.061 2016-02-03
Changes (jy):
+ enumeration update for item _pdbx_database_status.methods_development_category
4.060 2016-01-26
Changes (cl):
+ Update enumerations for item _em_entity_assembly.type
+ Change enumerations to examples for item _em_sample_support.grid_type
4.059 2015-12-03
Changes (jdw):
+ Category context changed for pdbx_nmr_spectral_peak_list
4.058 2015-10-01
Changes (jdw):
+ _pdbx_nmr_systematic_chem_shift_offset.ordinal replaces the natural category key for this category.
4.057 2015-07-21
Changes (jdw):
+ Correct example and item name in category pdbx_chem_comp_model_bond.
4.056 2015-07-17
Changes (jdw):
+ Add chemical component modeling extension categories: pdbx_chem_comp_model_atom, pdbx_chem_comp_model_bond,
pdbx_chem_comp_model_feature, pdbx_chem_comp_model_descriptor, pdbx_chem_comp_model_audit, and pdbx_chem_comp_model_reference.
4.055 2015-06-19
Changes (jdw):
+ Enumeration updates for items _pdbx_database_related.content_type and _pdbx_database_status.status_code.
+ Update examples for _pdbx_database_related.db_name.
4.054 2015-05-06
Changes (jdw):
+ extend data types for _pdbx_nmr_systematic_chem_shift_offset.atom_type
+_pdbx_nmr_systematic_chem_shift_offset.val/atom_type made optional
4.053 2015-04-30
Changes (jdw):
+ update enumerations in category pdbx_SG_project
4.052 2015-02-28
Changes (jdw):
+ removed _pdbx_poly_seq_scheme.hetero relationship with _entity_poly_seq.hetero having resolved
issues with schema translation and validation issues.
4.051 2015-02-16
Changes (jdw):
+ removed _pdbx_poly_seq_scheme.hetero relationship with _entity_poly_seq.hetero.
+ restored the above relationship _pdbx_poly_seq_scheme.hetero relationship with _entity_poly_seq.hetero
to avoid schema validation issue.
4.050 2014-11-20
Changes (jdw):
+ Update enumeration for item database_2.database_id
4.049 2014-11-07
Changes (jdw):
+ add item _pdbx_database_status.pdb_format_compatible to distinguish large entries not
represented in PDB format.
4.048 2014-09-03
Changes (PDBx/mmCIF Deposition Working Group,jdw):
+ Added item _refln.pdbx_r_free_flag suggested by PDBx/mmCIF Deposition Working Group
4.047 2014-07-29
Changes (jdw):
+ add optional data item _struct_ref.pdbx_db_isoform
4.046 2014-07-10
Changes (jdw):
+ update enumerations for item _pdbx_molecule_features.class
4.045 2014-06-15
Changes (jdw):
+ Add item _pdbx_struct_conn_angle.ptnr3_symmetry
4.044 2014-05-07
Changes (jdw):
+ update enumerations in category pdbx_SG_project
4.043 2014-05-02
Changes (jdw):
+ Add items _reflns.pdbx_CC_half, _reflns.pdbx_R_split, _reflns_shell.pdbx_CC_half, _reflns_shell.pdbx_R_split
+ 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 implicit with default value of 1.
4.042 2014-04-03
Changes (ep/jdw):
+ extended enumerations for item - _pdbx_contact_author.id
4.041 2014-03-28
Changes (ep/jdw):
+ Editorial corrections in decriptions for items _refine.pdbx_solvent_vdw_probe_radii, _refine.pdbx_solvent_ion_probe_radii,
_refine.pdbx_solvent_shrinkage_radii, and _refine.pdbx_overall_ESU_R_Free
4.040 2014-02-10
Changes (jdw):
+ 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
4.039 2014-01-17
Changes (jdw):
+ 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 and category pdbx_related_exp_data_set.
4.038 2014-01-09
Changes (jdw):
+ Update enumerations for item _pdbx_database_status.status_code
+ add category pdbx_related_exp_data_set
4.037 2013-11-22
Changes (jdw):
+ Update context values to WWPDB_LOCAL for categories database_PDB_remark and pdbx_contact_author
+ Update category group memberships
4.036 2013-10-17
Changes (jdw):
+ change mandatory code for _pdbx_nmr_sample_details.label,_pdbx_nmr_sample_details.type,_pdbx_nmr_exptl_sample_conditions.label,
_pdbx_nmr_exptl.spectrometer_id,_pdbx_nmr_exptl.sample_state to no.
+ Update enumeration for _database_2.database_id
+ Update enumeration for __pdbx_family_prd_audit.action_type
+ Update category group assignments for NMR data categories and change context values to WWPDB_LOCAL
+ Update category group assignments for chemical reference dictionaries: ccd_group and bird_group and bird_family_group.
+ Added category and items _pdbx_family_group_index.id and _pdbx_family_group_index.family_prd_id
+ 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
4.035 2013-08-27
Changes (jdw):
+ Added categories -
pdbx_struct_special_symmetry
pdbx_reference_publication_list
pdbx_nmr_assigned_chem_shift_list
pdbx_nmr_chem_shift_experiment
pdbx_nmr_chem_shift_ref
pdbx_nmr_chem_shift_reference
pdbx_nmr_chem_shift_software
pdbx_nmr_constraint_file
pdbx_nmr_software_task
pdbx_nmr_spectral_dim
pdbx_nmr_spectral_peak_list
pdbx_nmr_spectral_peak_software
pdbx_nmr_systematic_chem_shift_offset
pdbx_nmr_upload
pdbx_audit_support
pdbx_chem_comp_subcomponent_struct_conn
pdbx_chem_comp_subcomponent_entity_list
+ Added items:
_pdbx_struct_special_symmetry.id
_pdbx_struct_special_symmetry.PDB_model_num
_pdbx_struct_special_symmetry.auth_asym_id
_pdbx_struct_special_symmetry.auth_comp_id
_pdbx_struct_special_symmetry.auth_seq_id
_pdbx_struct_special_symmetry.PDB_ins_code
_pdbx_struct_special_symmetry.label_alt_id
_pdbx_struct_special_symmetry.label_asym_id
_pdbx_struct_special_symmetry.label_comp_id
_pdbx_struct_special_symmetry.label_seq_id
_pdbx_reference_publication_list.publication_abbrev
_pdbx_reference_publication_list.ASTM_code_type
_pdbx_reference_publication_list.ASTM_code_value
_pdbx_reference_publication_list.ISSN_code_type
_pdbx_reference_publication_list.ISSN_code_value
_pdbx_reference_publication_list.country
_pdbx_reference_publication_list.start_year
_pdbx_reference_publication_list.end_year
_pdbx_nmr_assigned_chem_shift_list.chem_shift_13C_err
_pdbx_nmr_assigned_chem_shift_list.chem_shift_15N_err
_pdbx_nmr_assigned_chem_shift_list.chem_shift_19F_err
_pdbx_nmr_assigned_chem_shift_list.chem_shift_1H_err
_pdbx_nmr_assigned_chem_shift_list.chem_shift_2H_err
_pdbx_nmr_assigned_chem_shift_list.chem_shift_31P_err
_pdbx_nmr_assigned_chem_shift_list.chem_shift_reference_id
_pdbx_nmr_assigned_chem_shift_list.conditions_id
_pdbx_nmr_assigned_chem_shift_list.data_file_name
_pdbx_nmr_assigned_chem_shift_list.details
_pdbx_nmr_assigned_chem_shift_list.entry_id
_pdbx_nmr_assigned_chem_shift_list.error_derivation_method
_pdbx_nmr_assigned_chem_shift_list.id
_pdbx_nmr_chem_shift_experiment.assigned_chem_shift_list_id
_pdbx_nmr_chem_shift_experiment.entry_id
_pdbx_nmr_chem_shift_experiment.experiment_id
_pdbx_nmr_chem_shift_experiment.experiment_name
_pdbx_nmr_chem_shift_experiment.sample_state
_pdbx_nmr_chem_shift_experiment.solution_id
_pdbx_nmr_chem_shift_ref.atom_group
_pdbx_nmr_chem_shift_ref.atom_isotope_number
_pdbx_nmr_chem_shift_ref.atom_type
_pdbx_nmr_chem_shift_ref.chem_shift_reference_id
_pdbx_nmr_chem_shift_ref.chem_shift_units
_pdbx_nmr_chem_shift_ref.chem_shift_val
_pdbx_nmr_chem_shift_ref.correction_val
_pdbx_nmr_chem_shift_ref.entry_id
_pdbx_nmr_chem_shift_ref.external_ref_axis
_pdbx_nmr_chem_shift_ref.external_ref_loc
_pdbx_nmr_chem_shift_ref.external_ref_sample_geometry
_pdbx_nmr_chem_shift_ref.indirect_shift_ratio
_pdbx_nmr_chem_shift_ref.mol_common_name
_pdbx_nmr_chem_shift_ref.rank
_pdbx_nmr_chem_shift_ref.ref_correction_type
_pdbx_nmr_chem_shift_ref.ref_method
_pdbx_nmr_chem_shift_ref.ref_type
_pdbx_nmr_chem_shift_ref.solvent
_pdbx_nmr_chem_shift_reference.carbon_shifts_flag
_pdbx_nmr_chem_shift_reference.details
_pdbx_nmr_chem_shift_reference.entry_id
_pdbx_nmr_chem_shift_reference.id
_pdbx_nmr_chem_shift_reference.label
_pdbx_nmr_chem_shift_reference.nitrogen_shifts_flag
_pdbx_nmr_chem_shift_reference.other_shifts_flag
_pdbx_nmr_chem_shift_reference.phosphorus_shifts_flag
_pdbx_nmr_chem_shift_reference.proton_shifts_flag
_pdbx_nmr_chem_shift_software.assigned_chem_shift_list_id
_pdbx_nmr_chem_shift_software.entry_id
_pdbx_nmr_chem_shift_software.software_id
_pdbx_nmr_constraint_file.constraint_filename
_pdbx_nmr_constraint_file.constraint_number
_pdbx_nmr_constraint_file.constraint_subtype
_pdbx_nmr_constraint_file.constraint_type
_pdbx_nmr_constraint_file.entry_id
_pdbx_nmr_constraint_file.id
_pdbx_nmr_constraint_file.software_name
_pdbx_nmr_constraint_file.software_ordinal
_pdbx_nmr_exptl_sample_conditions.details
_pdbx_nmr_exptl_sample_conditions.ionic_strength_err
_pdbx_nmr_exptl_sample_conditions.ionic_strength_units
_pdbx_nmr_exptl_sample_conditions.label
_pdbx_nmr_exptl_sample_conditions.pH_err
_pdbx_nmr_exptl_sample_conditions.pH_units
_pdbx_nmr_exptl_sample_conditions.pressure_err
_pdbx_nmr_exptl_sample_conditions.temperature_err
_pdbx_nmr_exptl_sample_conditions.temperature_units
_pdbx_nmr_exptl.spectrometer_id
_pdbx_nmr_exptl.sample_state
_pdbx_nmr_sample_details.label
_pdbx_nmr_sample_details.type
_pdbx_nmr_sample_details.details
_pdbx_nmr_software_task.entry_id
_pdbx_nmr_software_task.software_ordinal
_pdbx_nmr_software_task.task
_pdbx_nmr_spectral_dim.id
_pdbx_nmr_spectral_dim.atom_type
_pdbx_nmr_spectral_dim.atom_isotope_number
_pdbx_nmr_spectral_dim.spectral_region
_pdbx_nmr_spectral_dim.magnetization_linkage_id
_pdbx_nmr_spectral_dim.sweep_width
_pdbx_nmr_spectral_dim.encoding_code
_pdbx_nmr_spectral_dim.encoded_source_dimension_id
_pdbx_nmr_spectral_dim.entry_id
_pdbx_nmr_spectral_dim.spectral_peak_list_id
_pdbx_nmr_spectral_peak_list.entry_id
_pdbx_nmr_spectral_peak_list.id
_pdbx_nmr_spectral_peak_list.data_file_name
_pdbx_nmr_spectral_peak_list.solution_id
_pdbx_nmr_spectral_peak_list.conditions_id
_pdbx_nmr_spectral_peak_list.experiment_id
_pdbx_nmr_spectral_peak_list.number_of_spectral_dimensions
_pdbx_nmr_spectral_peak_list.details
_pdbx_nmr_spectral_peak_list.text_data_format
_pdbx_nmr_spectral_peak_software.software_id
_pdbx_nmr_spectral_peak_software.entry_id
_pdbx_nmr_spectral_peak_software.spectral_peak_list_id
_pdbx_nmr_spectrometer.details
_pdbx_nmr_systematic_chem_shift_offset.type
_pdbx_nmr_systematic_chem_shift_offset.atom_type
_pdbx_nmr_systematic_chem_shift_offset.atom_isotope_number
_pdbx_nmr_systematic_chem_shift_offset.val
_pdbx_nmr_systematic_chem_shift_offset.val_err
_pdbx_nmr_systematic_chem_shift_offset.entry_id
_pdbx_nmr_systematic_chem_shift_offset.assigned_chem_shift_list_id
_pdbx_nmr_upload.data_file_id
_pdbx_nmr_upload.data_file_name
_pdbx_nmr_upload.data_file_category
_pdbx_nmr_upload.data_file_syntax
_pdbx_nmr_upload.entry_id
_pdbx_nmr_assigned_chem_shift_list.label
_pdbx_nmr_assigned_chem_shift_list.conditions_label
_pdbx_nmr_spectral_peak_list.label
_pdbx_nmr_spectral_peak_list.conditions_label
_struct_site.pdbx_auth_asym_id
_struct_site.pdbx_auth_comp_id
_struct_site.pdbx_auth_seq_id
_struct_site.pdbx_auth_ins_code
_pdbx_audit_support.funding_organization
_pdbx_audit_support.country
_pdbx_audit_support.grant_number
_pdbx_audit_support.ordinal
_pdbx_chem_comp_subcomponent_struct_conn.id
_pdbx_chem_comp_subcomponent_struct_conn.type
_pdbx_chem_comp_subcomponent_struct_conn.entity_id_1
_pdbx_chem_comp_subcomponent_struct_conn.entity_id_2
_pdbx_chem_comp_subcomponent_struct_conn.atom_id_1
_pdbx_chem_comp_subcomponent_struct_conn.atom_id_2
_pdbx_chem_comp_subcomponent_struct_conn.comp_id_1
_pdbx_chem_comp_subcomponent_struct_conn.comp_id_2
_pdbx_chem_comp_subcomponent_struct_conn.seq_id_1
_pdbx_chem_comp_subcomponent_struct_conn.seq_id_2
_pdbx_chem_comp_subcomponent_entity_list.id
_pdbx_chem_comp_subcomponent_entity_list.parent_comp_id
_pdbx_chem_comp_subcomponent_entity_list.type
_pdbx_chem_comp_subcomponent_entity_list.class
_chem_comp_atom.pdbx_component_entity_id
_chem_comp.pdbx_number_subcomponents
_entity_src_gen.pdbx_src_id
_entity_src_gen.pdbx_alt_source_flag
_entity_src_gen.pdbx_seq_type
_entity_src_gen.pdbx_beg_seq_num
_entity_src_gen.pdbx_end_seq_num
_entity_src_nat.pdbx_src_id
_entity_src_nat.pdbx_alt_source_flag
_entity_src_nat.pdbx_beg_seq_num
_entity_src_nat.pdbx_end_seq_num
_pdbx_entity_src_syn.pdbx_src_id
_pdbx_entity_src_syn.pdbx_alt_source_flag
_pdbx_entity_src_syn.pdbx_beg_seq_num
_pdbx_entity_src_syn.pdbx_end_seq_num
_entity_poly.pdbx_seq_one_letter_code_sample
4.034 2013-08-08
Changes (jdw):
+ updated enumeration for item _pdbx_database_related.content_type
4.033 2013-07-01
Changes (jdw):
+ updated enumeration for item _entity_poly.type
4.032 2013-06-14
Changes (jdw):
+ updated enumeration for item _pdbx_database_related.content_type
4.031 2013-04-30
Changes (jdw):
+ Add category pdbx_validate_polymer_linkage
+ Adjust mandatory codes for items in category pdbx_contact_author.
4.030 2013-03-22
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
+ update enumerations for _pdbx_reference_molecule.class and _pdbx_molecule_features.class
4.029 2013-03-01
Changes (jdw):
+ add optional item _struct_ref.pdbx_align_end.
4.028 2013-02-13
Changes (jdw):
+ Update description for item _database_PDB_rev.mod_type
+ Update enumeration content for _pdbx_reference_molecule_family.release_status _pdbx_reference_molecule.release_status
4.027 2012-12-13
Changes (cl,eu,jdw):
+ Update the following EM enumerations -
_em_experiment.reconstruction_method: Add "SUBTOMOGRAM AVERAGING"
_em_assembly.aggregation_state: Add "HELICAL CRYSTAL"
_em_imaging.specimen_holder_model: Add "JEOL 3200FSC CRYOHOLDER"
_em_image_scans.scanner_model: Add "PATCHWORK DENSITOMETER"
4.026 2012-11-30
Changes (jdw):
+ Update enumerations for _pdbx_reference_molecule.class/type, _pdbx_reference_entity_list.type
4.025 2012-11-13
Changes (jdw):
+ 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
+ Update enumerations for _pdbx_chem_comp_identifier.type/program
+ Add _chem_comp_atom.pdbx_residue_numbering
+ Add _chem_comp_atom.pdbx_polymer_type
+ Add _chem_comp_atom.pdbx_ref_id
+ Add _chem_comp_atom.pdbx_component_id
+ Update item descriptions within the pdbx_poly_seq_scheme and pdbx_nonpoly_scheme categories.
+ Update description for _pdbx_struct_assembly_prop.biol_id
+ Update joint enumerations for _pdbx_reference_molecule.class.
+ Update enumeration list for _em_imaging.specimen_holder_model
4.024 2012-08-13
Changes (jdw):
+ add category pdbx_distant_solvent_atoms
+ remove unused categories pdbx_entity_group_list, pdbx_entity_group_components, pdbx_entity_group_instances
+ add items _pdbx_validate_chiral.auth_atom_id and _pdbx_validate_chiral.label_alt_id
+ add items _pdbx_validate_rmsd_bond.bond_target_value,_pdbx_validate_rmsd_bond.bond_standard_deviation,
_pdbx_validate_rmsd_angle.angle_target_value, _pdbx_validate_rmsd_angle.angle_standard_deviation
+ add enumeration 'Initial release' to item _pdbx_chem_comp_audit.action_type
4.023 2012-02-24
Changes (jdw):
+ Correct typo in definition for _refine_ls_restr_ncs.pdbx_rms.
+ Add category pdbx_molecule_features
+ correct several parent child data type inconsistencies
4.022 2012-02-03
Changes (jdw):
+ Remove parent link from '_struct_ref_seq_dif.db_mon_id' to '_chem_comp.id'.
+ Remove items:.

_pdbx_reference_entity_poly.nstd_chirality
_pdbx_reference_entity_poly.nstd_linkage
_pdbx_reference_entity_poly.nstd_monomer
_pdbx_reference_entity_poly.number_of_monomers

_pdbx_reference_entity_poly_seq.insert_code
_pdbx_reference_entity_poly_seq.modification_details
_pdbx_reference_entity_poly_seq.modified_mon_id

_pdbx_reference_entity_list.auth_asym_id
_pdbx_reference_molecule_features.citation_id

_pdbx_reference_entity_nonpoly.auth_asym_id
_pdbx_reference_entity_nonpoly.auth_seq_id
_pdbx_reference_entity_nonpoly.label_alt_id
_pdbx_reference_entity_nonpoly.PDB_ins_code
_pdbx_reference_entity_poly_link.insert_code_1
_pdbx_reference_entity_poly_link.insert_code_2
_pdbx_reference_entity_link.nonpoly_res_num_1
_pdbx_reference_entity_link.nonpoly_res_num_2

+ Remove category

_pdbx_reference_molecule_instances

+ Add new items

_pdb_reference_molecule.representative_PDB_id_code
_pdbx_reference_molecule.release_status
_pdbx_reference_molecule.replaces
_pdbx_reference_molecule.replaced_by
_pdbx_reference_molecule_family.release_status
_pdbx_reference_molecule_family.replaces
_pdbx_reference_molecule_family.replaced_by
_pdbx_reference_entity_src_nat.source_id
_pdbx_reference_molecule_details.source_id

+ Add new category PDBX_MOLECULE to entry files to identify PRD reference molecules:

_pdbx_molecule.instance_id
_pdbx_molecule.asym_id
_pdbx_molecule.prd_id

+ Rename category -

pdbx_reference_entity_poly_nstd_link to pdbx_reference_entity_poly_link

this category expanded to include both standard and non-standard linkages.

+ Update categories pdbx_item_linked_group and pdbx_item_linked_group_list.
4.021 2012-01-24
Changes (jdw):
+ Added _pdbx_database_PDB_obs_spr.details
+ The following changes have been made to the new PDBX_REFERENCE_ categories -

Renamed categories and items:

pdbx_reference_entity_details -> pdbx_reference_molecule_details
pdbx_reference_entity_feature -> pdbx_reference_molecule_features
pdbx_reference_entity_annotatoin -> pdbx_reference_molecule_annotation
pdbx_reference_entity_synonyms -> pdbx_reference_molecule_synonyms
pdbx_reference_entity_related_structures -> pdbx_reference_molecule_related_structures
pdbx_reference_entity_family -> pdbx_reference_molecule_family
pdbx_reference_entity_instance -> pdbx_reference_molecule_instances

_pdbx_reference_entity_list.component -> _pdbx_reference_entity_list.component_id
_pdbx_reference_entity_list.component renamed -> _pdbx_reference_entity_list.component_id
_pdbx_reference_entity_poly_nstd_link.component -> _pdbx_reference_entity_poly_nstd_link.component_id

Renamed three_letter_code -> chem_comp_id in items:

_pdbx_reference_molecule.chem_comp_id
_pdbx_reference_entity_nonpoly.chem_comp_id
_pdbx_reference_molecule_instancess.chem_comp_id
_pdbx_reference_molecule_synonyms.chem_comp_id
_pdbx_reference_entity_subcomponents.chem_comp_id
_pdbx_reference_molecule_annotation.chem_comp_id
_pdbx_reference_molecule_features.chem_comp_id

Added audit categories for molecule and family information:

pdbx_prd_audit and pdbx_family_prd_audit

Added items:

_pdbx_reference_molecule_list.family_prd_id
_pdbx_reference_molecule_list.prd_id
_pdbx_reference_entity_list.auth_asym_id
_pdbx_reference_entity_nonpoly.auth_asym_id
_pdbx_reference_entity_nonpoly.auth_seq_id
_pdbx_reference_entity_nonpoly.PDB_ins_code
_pdbx_reference_entity_nonpoly.label_auth_id
_pdbx_reference_molecule.type_evidence_code
_pdbx_reference_molecule.class_evidence_code

Removed provisional categories -
pdbx_reference_entity_group
pdbx_reference_entity_group_components
pdbx_reference_entity_group_components
pdbx_reference_entity_grouping

Removed provisional items -
_pdbx_reference_molecule.family_prd_id
_pdbx_reference_entity_list.family_prd_id
_pdbx_reference_entity_nonpoly.family_prd_id
_pdbx_reference_molecule_instancess.family_prd_id
_pdbx_reference_molecule_instancess.PDB_chain_id_list
_pdbx_reference_molecule_instancess.PDB_residue_number
_pdbx_reference_entity_subcomponents.family_prd_id
_pdbx_reference_entity_link.family_prd_id
_pdbx_reference_entity_poly.family_prd_id
_pdbx_reference_entity_poly_seq.family_prd_id
_pdbx_reference_entity_sequence.family_prd_id
_pdbx_reference_entity_src_nat.family_prd_id
_pdbx_reference_entity_poly_nstd_link.family_prd_id
4.020 2012-01-04
Changes (jdw):
+ Revise enumerations for category pdbx_sg_project.
4.019 2011-12-13
Changes (jdw):
+ Revise enumerations for item _pdbx_coordinate_model.type
+ Update enumerations for pdbx_sg_projects category.
+ Added item _pdbx_database_status.methods_development_category
+ Update examples for _pdbx_database_related.db_name
4.018 2011-11-29
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

+ _pdbx_reference_entity_list.component made part of key
+ _pdbx_reference_entity_poly_nstd_link.component made part of key
+ _pdbx_reference_entity_sequence.family_prd_id added to key
+ _pdbx_reference_entity_sequence.prd_id added to key
+ _pdbx_reference_entity_sequence.ref_entity_id added to key
+ _pdbx_reference_entity_poly_seq.mon_id restored in key

+ _pdbx_reference_entity_poly_seq.num boundary remove boundary conditions.
4.017 2011-11-11
Changes (jdw):
+ update enumerations for _chem_comp.pdbx_processing_site
4.016 2011-10-21
Changes (jdw):
+ Added item _pdbx_reference_entity_poly_seq.observed
+ Added item _pdbx_reference_entity_poly_seq.hetero
+ Corrected typos in the defintions of _pdbx_reference_entity_annotation.source
and _pdbx_struct_group_components.PDB_model_num
+ correct data type and parent references for _pdbx_struct_group_components.auth_comp_id,
_pdbx_struct_group_component_range.beg_auth_comp_id, and _pdbx_struct_group_component_range.end_auth_comp_id
4.015 2011-09-14
Changes (jdw):
+ Update enumerations for pdbx_sg_projects category.
4.014 2011-08-29
Changes (jdw):
+ correct typo in enumerations for item _pdbx_struct_group_list.type.
4.013 2011-07-22
Changes (jdw):
+ Update enumerations for pdbx_sg_projects category.
4.012 2011-07-11
Changes (jdw):
+ removed trailing space in enumeration of value for _pdbx_version.revision_type
4.011 2011-06-14
Changes (jdw):
+ update enumeration for _database_2.database_id
4.010 2011-06-07
Changes (jdw):
+ data type relaxed from line to text for -_chem_comp.pdbx_synonym _chem_comp.pdbx_modification_details.
+ add FLUORESCENCE TRANSFER/'FLUORESCENCE TRANSFER only as a supporting method' to
_exptl.method enumeration list.
4.009 2011-06-01
Changes (jdw):
+ update enumerations for _pdbx_chem_comp_audit.action_type'
4.008 2011-05-27
Changes (jdw & ak):
+ correct typo in enumeration for _pdbx_struct_group_list.type
+ correct typo in example for _em_vitrification.time_resolved_state
+ correct typo in definition of _pdbx_struct_group_component_range.PDB_model_num
+ correct typo in example for _reflns.phase_calculation_details
+ remove redunant information in the following items _pdbx_atom_site_aniso_tls.auth_comp_id,
_pdbx_struct_conn_angle.ptnr1_label_alt_id, _pdbx_struct_conn_angle.ptnr2_label_alt_id, and
_pdbx_reference_entity_annotation.source
+ update enumerations for _pdbx_SG_project.project_name
+ update enumerations for _pdbx_SG_project.full_name_of_center
4.007 2011-05-13
Changes (jdw):
+ _exptl.method enumeration and details extended with
'THEORETICAL MODEL' 'THEORETICAL MODEL only as a supporting method'
+ added new items -_refln.pdbx_FWT,_refln.pdbx_DELFWT,_refln.pdbx_PHWT, and
_refln.pdbx_DELPHWT
+ updated examples for _symmetry.space_group_name_H-M
+ add _refine_ls_restr.pdbx_refine_id to category key
+ add item pdbx_version.revision_type as key item in this category
+ _pdbx_version.minor_version data type changed to code.
+ update aliases for _pdbx_database_status.status_code_cs
+ add enumerations for _pdbx_version.revision_type
+ update enumerations for PSI centers -
+ extended enumeratio for _refine.pdbx_TLS_residual_ADP_flag
+ _em_imaging.microscope_id made optional -
+ relax parent child relationship for _pdbx_remediation_atom_site_mapping.auth_alt_id
4.006 2011-04-21
Changes: (jdw):
+ updated enumeration list for _pdbx_SG_project items.
4.005 2011-04-19
Changes: (jdw):
+ Add item _pdbx_reference_entity_poly_seq.modification_details
4.004 2011-04-13
Changes: (jdw):
+ The roles of _pdbx_reference_entity_poly_seq.modified_mon_id and _pdbx_reference_entity_poly_seq.mon_id
swapped.
+ _pdbx_reference_entity_poly_seq.modified_mon_id removed
+ _pdbx_reference_entity_poly_seq.parent_mon_id added as an optional item for the
parent items in ribosomal proteins.
+ _pdbx_reference_entity_poly_seq.mon_id made mandatory and part of key
+ corrected examples link examples with bond orders = 'sing'
+ relax the comma separated item data type
+ add famil_prd_id and ref_entity_id to the category key of pdbx_entity_reference_sequence
4.003 2011-04-13
Changes: (jdw):
+ removed duplicate _pdbx_reference_entity_poly_seq.hetero definition
+ Changed the lower limit for _pdbx_reference_entity_poly_seq.num to include 0
4.002 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
4.001 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
4.000 2011-04-06
Changes (jdw):
+ Release as provision version 4.000
3.316 2011-04-05
Changes (jdw):

+ Added non-standard polymer linking details in category PDBX_REFERENCE_ENTITY_POLY_NSTD_LINK
+ Added _pdbx_reference_entity_list.nonpoly_residue_number
+ Changed the representative flag item name to _pdbx_reference_entity_instances.prd_representative_flag.
+ Added instance level nonpolymer residue preference, _pdbx_entity_group_components.nonpoly_residue_number
3.315 2011-03-31
Changes (jdw):

+ Add comma separated data type ucode-alphanum-csv

+ Revised with additional categories to capture entity level details.

PDBX_REFERENCE_ENTITY_LIST
PDBX_REFERENCE_ENTITY_NONPOLY
PDBX_REFERENCE_ENTITY_LINK

ref_entity_id incorporated as an additional key where appropriate.

_pdbx_reference_entity_list.ref_entity_id
_pdbx_reference_entity_nonpoly.ref_entity_id
_pdbx_reference_entity_link.ref_entity_id_1
_pdbx_reference_entity_poly.ref_entity_id
_pdbx_reference_entity_poly_seq.ref_entity_id
_pdbx_reference_entity_sequence.ref_entity_id

+ New categories to be included within PDB entries --

PDBX_ENTITY_GROUP_LIST and

PDBX_STRUCT_GROUP_LIST and related categories are provided to map
entity level information to the copies in the deposited coordinates.

PDBX_ENTITY_GROUP_INSTANCES is provided to map entity-level molecular definitions
to coordinate observations in the PDBX_STRUCT_GROUP_LIST.
3.314 2011-03-24
Changes (jdw):
+ updated enumeration list for _pdbx_SG_project.project_name.
3.313 2011-02-21
Changes (jdw):
+ Added categories pdbx_entity_group and pdbx_entity_group_components
3.312 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'.
3.311 2011-01-25
Changes (jdw):
+ Added new category pdbx_struct_comp_nstd_link.
+ Added _chem_comp.type 'Iso-peptide linking' enumeration.
3.310 2010-11-29
Changes (jdw):
Added new categories for PRD - pdbx_reference_entity_group, pdbx_reference_entity_group_components, and pdbx_reference_entity_grouping
3.309 2010-11-22
Changes (jdw):
+parent for _pdbx_remediation_atom_site_mapping.auth_alt_id removed.
3.308 2010-11-19
Changes (jdw):
+ Added __reflns.phase_calculation_details from the v3.2 dictionary
+ Replaced _refine.pdbx_adp_type with _refine.pdbx_TLS_residual_ADP_flag
3.307 2010-09-30
Changes (jdw):
+ change data type for _chem_comp.name from line to text.
+ add pdbx_entity_reference_family category and add pdbx_entity_reference_family.family_prd_id
as a part of key in pdbx_entity_reference* categories.
+ _pdbx_reference_entity_poly.db_code and _pdbx_reference_entity_poly.db_name
3.306 2010-09-24
Changes (jdw):
+ _chem_comp.pdbx_processing_site enumerations revised to 'PDBE' 'PDBJ' 'RCSB'
+ pdbx_chem_comp_atom_feature category
+ data type for _chem_comp.one_letter_code changed from uchar1 to ucode to handle components
derived from multiple parent components and chromophores.
+ standardized enumerations for _pdbx_database_status.process_site and deposit_site.
+ _chem_comp.pdbx_release_status enumeration extended with REF_ONLY to identify reference components.
3.305 2010-09-16
Changes (jdw):
+ Data type for _pdbx_chem_comp_audit.action_type changed from code to line.
+ Enumerations details corrected for _chem_comp_bond.pdbx_stereo_config
3.304 2010-08-02
Changes (jdw):
+ Updated enumerations for item _pdbx_chem_comp_audit.action_type and the example for this category.
3.303 2010-06-29
Changes (jdw):
+ Added items for fiber diffraction data collection -
_refln.pdbx_fiber_layer, _refln.pdbx_fiber_coordinate, _refln.pdbx_fiber_F_meas_au
3.302 2010-06-16
Changes (jdw):
+ _exptl.method - updated enumerations and details
'INFRARED SPECTROSCOPY' 'IR and FTIR only as supporting methods'
'EPR' 'EPR only as a supporting method'
3.301 2010-06-10
Changes (jdw):
+ Change to ordinal key in category REFLNS adding pdbx_ordinal.
+ Admit multiple comma separated values for child items of pdbx_diffrn_id.
+ added - _pdbx_database_status.date_hold_chemical_shifts
_pdbx_database_status.date_chemical_shifts
_pdbx_database_status.recvd_chemical_shifts
_pdbx_database_status.dep_release_code_chemical_shifts
_pdbx_database_status.date_of_cs_release
_pdbx_database_status.status_code_cs
3.300 2010-06-04
PRELIMINARY DICTIONARY SUPPORT V3.3 FORMAT (jdw):
+ added _refine.pdbx_adp_type - to differentiate entries containing mark residual or full
temperature factors
+ Modified _atom_site.B_iso_or_equiv definition modified to reflect new type information
in _refine.pdbx_adp_type
+ Change _refln.wavelength_id mandatory code to NO (optional)
+ Change _diffrn_refln.wavelength_id mandatory code to NO (optional)
+ Change _refln.crystal_id mandatory code to NO (optional)
+ Change _refln.scale_group_code mandatory code to NO (optional)
+ Change _diffrn_radiation.wavelength_id mandatory code to NO (optional)
+ Add _diffrn_radiation.pdbx_scattering_type
+ Add _refln.pdbx_diffrn_id as optional child item of _diffrn.id
+ Add _reflns.pdbx_diffrn_id as optional child of item _diffrn.id
+ Add _refine.pdbx_diffrn_id as optional child of item _diffrn.id
+ Add _reflns_shell.pdbx_ordinal as ordinal category key for reflns_shell category.
+ Add _reflns_shell.pdbx_diffrn_id as optional child of item _diffrn.id
+ Deprecate catetory PDBX_DIFFRN_REFLNS_SHELL
+ Change category key for REFLNS to _reflns.pdbx_diffrn_id
+ Change cateogry key for REFLNS_SHELL to _reflns_shell.pdbx_ordinal
1.0676 2010-06-03
Changes (jdw):
+ revisions for peptide reference dictionary in the pdbx_reference_entity_* category hierarchy.
+ added _pdbx_entity_src_syn.strain.
+ added _atom_site.pdbx_auth_asym_id,_atom_site.pdbx_auth_comp_id,
_atom_site.pdbx_auth_seq_id
+ updated examples for the pdbx_reference_entity_* categories -
+ added category pdbx_reference_entity_sequence
+ added item _pdbx_reference_entity_instances.published_name
+ removed unused item _pdbx_reference_entity_feature.support
+ added _pdbx_reference_entity_feature.source_ordinal
_pdbx_reference_entity_src_nat.source
_pdbx_reference_entity.class
_pdbx_reference_entity_related_structures.db_accession
+ renamed items in pdbx_reference_entity_related_structures category -
_pdbx_reference_entity_related_structures.db_name
_pdbx_reference_entity_related_structures.db_code
+ add category pdbx_bond_distance_limits
+ remove _pdbx_reference_entity_poly_seq.mon_id from category key
+ added items -
_pdbx_reference_entity_instances.auth_asym_id
_pdbx_reference_entity_instances.auth_seq_id
_pdbx_reference_entity_instances.label_alt_id
_pdbx_reference_entity_instances.PDB_ins_code
_pdbx_reference_entity_instances.published_subcomponent
+ Added REFI to enumerations for _pdbx_database_status.status_code and
_pdbx_database_status.release_status_code
1.0675 2010-02-04
Changes (jdw):
+ update aliases to local dictionaries
+ added _pdbx_soln_scatter_model.representative_conformer
+ added _pdbx_remediation_atom_site_mapping.occupancy
+ added _pdbx_remediation_atom_site_mapping.pre_occupancy
+ added enumeration 'tetartohedral' for _pdbx_reflns_twin.type
+ added _struct.pdbx_CASP_flag
+ added items for latest version of Buster.
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI
_refine.pdbx_overall_SU_R_Blow_DPI
_refine.pdbx_overall_SU_R_free_Blow_DPI
_refine_ls_restr.pdbx_restraint_function
1.0674 2009-10-28
Changes (jdw):
+ Add _pdbx_validate_planes.type enumerations for 'SIDE CHAIN' and
'MAIN CHAIN' and deprecate values that contained underscores
(e.g. MAIN_CHAIN). Update data type and category examples.
+ Added _pdbx_chem_comp_audit.processing_site and _pdbx_chem_comp_audit.details
+ Update enumerations for _pdbx_chem_comp_audit.action_type.
+ 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
1.0673 2009-07-23
Changes (jdw):
+ Complete missing definition elements for chem_comp_atom.type_symbol and
remove parent-child for this item which is not supported in the current
packaging of the chemical components dictionary.
+ Add _chem_comp.type's for 'L-RNA linking' 'L-DNA linking'
1.0672 2009-06-02
Changes (jdw):
+ Add category pdbx_remediation_atom_site_mapping
+ update internal tables of link relationships
+ minor typographical corrections in several examples.
1.0671 2009-05-12
Changes (jdw):
+ Add '_struct_conn.pdbx_value_order'
1.0670 2009-03-13
Changes (jdw):

+ Add '_refine_ls_restr_ncs.pdbx_ordinal' as new category key for this category.
+ Add '_refine_ls_restr_ncs.pdbx_auth_asym_id' as new category key for this category.
+ Add optional identifier _pdbx_refine_component.PDB_ins_code.

+ Make '_atom_sites_alt.id' child of '_atom_site.label_alt_id' to avoid
unspecified parent identifier issue with this item.
+ Update missing values in category examples accross the dictionary.
+ _pdbx_struct_assembly.oligomeric_details enumeration suppressed.
+ _pdbx_database_related.content_type - added enumeration 're-refinement'
+ Examples for _exptl.method promoted to an enumeratation.
+ added optional item _pdbx_struct_assembly_gen.auth_asym_id_list
+ _pdbx_refine_tls_group.selection enumerations changed to examples, type
changed to line.
1.0669 2009-01-16
Changes (jdw):
Add _struct_site.pdbx_evidence_code.
1.0668 2008-12-17
Changes (jdw):
+ update descriptions for _chem_comp.three_letter_code and _chem_comp.one_letter_code.
+ fix alias definiftion for _pdbx_nmr_exptl_sample.concentration_range.
1.0667 2008-12-11
Changes (jdw):
+ Add enumeration for InChIKey to _pdbx_chem_comp_descriptor.type
+ Add - 120-meric 180-meric 240-meric 62-meric 108-meric to oligomeric_details
+ Add viral symmetry descriptions to oligomeric_details:
cyclic tetrahedral dihedral octahedral icosahedral to oligomeric_details
+ Add pseudo-merohedral to _pdbx_reflns_twin.type enumeration
+ Add item _pdbx_struct_assembly.oligomeric_count which provides integer count
of the members of the assembly corresponding to the text description in
oligomeric_details.
+ Add item _pdbx_struct_oper_list.symmetry_operation to hold symop in (x,y,z) format.

+ _pdbx_entity_src_gen.ncbi_taxonomy_id, _pdbx_entity_src_gen.organism_scientific and
_pdbx_entity_src_gen.organism_common_name added to capture biological origin of
synthetic molecule.

Updates in EM data items: (cb,cl,jw):
+ Modified the data type code - change "line" to "text":
_em_assembly.composition
_em_assembly.name
_em_3d_fitting.software_name
_em_entity_assembly.ebi_expression_system
_em_vitrification.instrument
_em_imaging.specimen_holder_type
+ Inserted missing items.
_em_3d_reconstruction.euler_angles_details
_em_3d_reconstruction.num_class_averages
_em_3d_reconstruction.software
_em_entity_assembly.mutant_flag
_em_entity_assembly.number_of_copies
_em_entity_assembly.oligomeric_details
_em_imaging.astigmatism
_em_imaging.electron_beam_tilt_params
+ Added "NONE" to the enumeration list for _em_vitrification.cryogen_name
+ Added "OTHER" to the enumeration list for _em_virus_entity.virus_isolate
+ Updated enumeration list for _em_image_scans.scanner_model
'NIKON SUPER COOLSCAN 9000'
'NIKON COOLSCAN'
'PRIMESCAN'
'IMAGE SCIENCE PATCHWORK DENSITOMETER'
'EIKONIX IEEE 488'

+ Updated enumeration list for _em_imaging.specimen_holder_model
_item_enumeration.value
'JEM3200FSC CRYOHOLDER'
'PHILIPS ROTATION HOLDER'
'HOME BUILD'
'JEOL'
'SIDE ENTRY, EUCENTRIC'

+ Updated the enumeration list for _em_microscope.model:
_item_enumeration.value
'JEM2200FS'
'JEM3200FSC'
'PHILIPS EM400'
'PHILIPS EM420'
'JEOL 1200EX II'
'FEI TECNAI G20'
'ZEISS LEO 912'
'TECNAI G2'


+ Added the following items for the polymer reference dictionary.
These items will appear only in the polymer reference dictionary,
and not in any PDB entry data files.

+ Unused category _pdbx_entity_annotation renamed to _pdbx_reference_entity_annoation.

_pdbx_reference_entity.id
_pdbx_reference_entity.description
_pdbx_reference_entity.details
_pdbx_reference_entity.formula_weight
_pdbx_reference_entity.formula_weight
_pdbx_reference_entity.formula
_pdbx_reference_entity.type
_pdbx_reference_entity.name
_pdbx_reference_entity.represent_as
_pdbx_reference_entity.3-letter-code
_pdbx_reference_entity_synonyms.entity_id
_pdbx_reference_entity_synonyms.name
_pdbx_reference_entity_components.entity_id
_pdbx_reference_entity_components.names
_pdbx_reference_entity_poly.entity_id
_pdbx_reference_entity_poly.nstd_chirality
_pdbx_reference_entity_poly.nstd_linkage
_pdbx_reference_entity_poly.nstd_monomer
_pdbx_reference_entity_poly.number_of_monomers
_pdbx_reference_entity_poly.type
_pdbx_reference_entity_poly_seq.entity_id
_pdbx_reference_entity_poly_seq.mon_id
_pdbx_reference_entity_poly_seq.num
_pdbx_reference_entity_poly_seq.nstd_mon_parent_id
_pdbx_reference_entity_annotation.entity_id
_pdbx_reference_entity_annotation.text
_pdbx_reference_entity_annotation.type
_pdbx_reference_entity_annotation.support
_pdbx_reference_entity_annotation.source
_pdbx_reference_entity_feature.entity_id
_pdbx_reference_entity_feature.type
_pdbx_reference_entity_feature.support
_pdbx_reference_entity_feature.value
_pdbx_reference_entity_feature.source
_pdbx_reference_entity_src_nat.entity_id
_pdbx_reference_entity_src_nat.organism_scientific
_pdbx_reference_entity_src_nat.strain
1.0666 2008-11-25
+ make _struct_mon_prot_cis.pdbx_id ordinal key for this category.
1.0665 2008-11-21
+ change oligomeric_details enumerations from -mer to -meric
1.0664 2008-11-17
+ add additional enumerations for oligomeric_details
+ add _exptl.method to category key.
1.0663 2008-11-12
+ add enumeration for oligomeric_details
+ added items -
_exptl_crystal.pdbx_mosaicity
_exptl_crystal.pdbx_mosaicity_esd
_reflns_shell.pdbx_rejects
_diffrn_reflns.pdbx_d_res_low
_diffrn_reflns.pdbx_d_res_high
_diffrn_reflns.pdbx_percent_possible_obs
_diffrn_reflns.pdbx_Rmerge_I_obs
_diffrn_reflns.pdbx_Rsym_value
_diffrn_reflns.pdbx_chi_squared
_diffrn_reflns.pdbx_redundancy
_diffrn_reflns.pdbx_rejects
_diffrn_reflns.pdbx_observed_criterion
_diffrn_reflns.pdbx_number_obs
_pdbx_diffrn_reflns_shell.diffrn_id
_pdbx_diffrn_reflns_shell.d_res_low
_pdbx_diffrn_reflns_shell.d_res_high
_pdbx_diffrn_reflns_shell.percent_possible_obs
_pdbx_diffrn_reflns_shell.Rmerge_I_obs
_pdbx_diffrn_reflns_shell.Rsym_value
_pdbx_diffrn_reflns_shell.chi_squared
_pdbx_diffrn_reflns_shell.redundancy
_pdbx_diffrn_reflns_shell.rejects
_pdbx_diffrn_reflns_shell.number_obs
1.0662 2008-11-10
Changes (jdw):
+ remove spaces from enumerations in pdbx_reflns_twin.operator.
1.0661 2008-10-31
Changes (jdw):
Added enum 'Medical Structural Genomics of Pathogenic Protozoa' /MSGPP
1.0660 2008-10-30
Changes (jdw):
+ add _audit_author.pdbx_ordinal and make this category key for this audit_author category.
+ allow whitespace for all entity_src_gen.*taxonomy_id items.
+ add _pdbx_struct_assembly.oligomeric_details
1.0659 2008-10-23
Changes (jdw):
+ add _chem_comp.type 'peptide linking'
1.0658 2008-10-15
Changes (jdw):
+ added _reflns.pdbx_number_measured_all.
1.0657 2008-10-08
Changes (jdw):
+ add _atom_site.pdbx_formal_charge
1.0656 2008-10-04
Changes (jdw):
+add _pdbx_nmr_exptl_sample.concentration_range
1.0655 2008-10-03
Changes (jdw):
+ add _software.pdbx_ordinal and _pdbx_nmr_software.ordinal and make these
category keys in these categories.
+ set _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id type to line
1.0654 2008-09-18
Changes (jdw):
+ adjust enumeratiom for _pdbx_database_related.content_type
1.0653 2008-09-17
Changes (jdw):
+ Remove parent item for _refine_hist.pdbx_refine_id
1.0652 2008-09-12
Changes (jdw):
+ add _pdbx_reflns_twin.domain_id
+ add _pdbx_reflns_twin.operator to category key
+ adjust mandatory codes in pdbx_reflns_twin
1.0651 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
+ Relax data type _refine.pdbx_refine_id and all of its children.
+ Make _struct_ncs_dom_lim.label_alt_id optional
+ Correct alias on _pdbx_refine.pdbx_refine_id
1.064 2008-09-03
Changes: (jdw)
+ Add category pdbx_atom_site_aniso_tls
+ Add category pdbx_struct_chem_comp_feature
1.063 2008-08-26
Changes: (jdw)
+ added pdbx_refine_id to the following category keys to distinguish
joint refinement methods:
refine
refine_analyze
refine_hist
refine_ls_restr
refine_ls_restr_ncs
refine_ls_shell
pdbx_refine_tls
pdbx_refine_tls_group
pdbx_refine
pdbx_xplor_file
pdbx_refine_aux_file
1.062 2008-08-19
Changes: (jdw)
+ Added _pdbx_poly_seq_scheme.hetero
1.061 2008-08-15
Changes: (jdw):
+ Add _pdbx_entity_annotation.source, _pdbx_chem_comp_feature.support
+ Make _pdbx_entity_annotation.text part of category key
+ Correct typo in enumeration in _pdbx_reflns_twin.type
+ Add enumerations for antibiotics to _entity.type and _entity_poly.type.
1.060 2008-07-30
Changes: (jdw):
+ update enumerations in _pdbx_database_related.content_type with 'split entry'
+ _pdbx_database_related.content_type added to key of this category.
1.059 2008-07-27
Changes: (jdw):
+ correct item_link for _pdbx_validate_chiral.auth_comp_id
1.058 2008-07-25
Changes: (jdw):
+ _pdbx_nmr_refine.method made optional:
+ adjust data type regular expression for 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'
+ added _pdbx_coordinate_model.asym_id and _pdbx_coordinate_model.type
+ _reflns_shell.d_res_low _refine_ls_shell.d_res_low removed from key
+ _pdbx_nmr_software.authors made type text
+ _phasing_MAD_clust.id made type line
+ _phasing_MAD_expt.id made type line
+ add enumerations for sg projects
+ addjust parent child relationships for refine_ls_restr_ncs
1.057 2008-07-18
Changes: (jdw):
Added - _struct.pdbx_model_type_details
1.056 2008-07-16
Changes: (jdw/cl)

Added items:
_em_experiment.entry_id
_em_experiment.reconstruction_method
_em_experiment.specimen_type
_em_single_particle_entity.entry_id
_em_single_particle_entity.symmetry_type

Updated enumerations for: _em_assembly.aggregation_state
1.055 2008-06-20
Changes: (jdw)

Make the following items made optional -
_pdbx_struct_assembly_prop.details
_ndb_struct_na_base_pair.i_PDB_ins_code
_ndb_struct_na_base_pair.j_PDB_ins_code
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
_struct_ref_seq_dif.db_mon_id

_struct_ncs_dom_lim.beg_label_alt_id
_struct_ncs_dom_lim.end_label_alt_id
_struct_site_gen.label_alt_id

_pdbx_struct_mod_residue.details
_refine.ls_d_res_low
_struct_conn.ptnr1_label_atom_id
_struct_conn.ptnr2_label_atom_id
_struct_ref_seq_dif.mon_id
_struct_ref_seq_dif.seq_num

Parent child corrections in categories
pdbx_poly_seq_scheme (entity_id exchange parent and child references)
struct_ref_seq_dif

Remove the following items from category key and make optional.
_entity_name_com.name
_entity_name_sys.name
_pdbx_nmr_software.version
_software.version

Add approximate regex for Enzyme Commission number.
1.054 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
1.053 2008-05-29
Changes: (jdw)
+ This dictionary is the first version supporting PDB V3.2
+ Added- _refine_ls_restr_ncs.pdbx_ens_id, _struct_ncs_dom.pdbx_ens_id,
_struct_ncs_dom_lim.pdbx_ens_id to category keys -
1.052 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.
** Note this is the last version of the dictionary supporting version PDB 3.1 files.
1.051 2008-02-10
Changes: (jw):
+ Added contributed item from Acta Cryst. editors by way of Brian McMahon,
_reflns.pdbx_d_opt.
1.050 2008-01-24
Changes (jdw,zf):

+ make _pdbx_validate_close_contact.symm_as_xyz_1,2 optional
1.049 2008-01-09
+ Added _entity_poly.rcsb_build_self_reference, _refine.pdbx_overall_phase_error and
_refine_ls_shell.pdbx_phase_error
+ Added contributed items from Howard Einsphar and Manfred Weiss - _reflns.pdbx_Rpim_I_all
_reflns_shell.pdbx_Rpim_I_all
1.048 2007-11-18
Changes: (jdw/kh)
+ allow leading '+' for data type int
+ add '[]' to allowed characters for data types code and ucode -
+ make items other than the category key in ENTITY_SRC_NAT optional.
1.047 2007-08-24
Changes: (jdw/kh/zf)
+ Add categories pdbx_struct_ref_seq_insertion and pdbx_struct_ref_seq_deletion.
1.046 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.
1.045 2007-06-23
Changes: (jdw)
+ change data type for _pdbx_database_PDB_obs_spr.replace_pdb_id to line
+ remove parent/child relationship for - _chem_comp.mon_nstd_parent_comp_id
+ extend enumerations for _pdbx_SG_project
+ data type _diffrn_detector.pdbx_collection_date made yyyy-mm-dd:hh:mm-flex
+ extend enumerations for _pdbx_nmr_exptl_sample.concentration_units
+ make pdbx_database_status - author_release_status and
recvd_initial_deposition_date items optional
+ adjust enumeration case for _pdbx_chem_comp_descriptor.type
+ supress parent relationship for _phasing_MIR_der_site.atom_type_symbol
+ uchar3 adjusted to accept all possible 3-letter-code values -
+ extended enumeration for _software.language
+ data type for _chem_comp.mon_nstd_parent_comp_id changed to uline
1.044 2007-05-30
Changes: (jdw/as)
+ added _citation_author.ordinal to category key
+ remove duplicate data item specifications in category entity_src_gen
+ miscellaneous corrections to data item references in definitions
+ make all 'replaces/replacedby' relationships reciprocal
+ make all key items mandatory.
+ add program and program_version to the key of category
pdbx_chem_comp_identifier
+ suppress aliases to the ebi_extension dictionary.
1.043 2007-05-28
Changes: (jdw)
+ adjust child data types for consistency with parent types.
+ removed aliases to local status items in pdbx_database_status.
1.042 2007-05-20
Changes: (jdw)
+ Add _software.classification to category key.
+ Change enumerations for _pdbx_chem_comp_descriptors.program and
_pdbx_chem_comp_identifiers.program to examples.
+ Make category keys in audit_conform mandatory
+ remove incorrect parent-child link to
_pdbx_struct_assembly_gen.oper_expression
+ Added _pdbx_struct_assembly_gen.asym_id_list and replaced
_pdbx_struct_assembly_gen.entity_inst_id with this item
in the key for this category. Suppressed parent child
relationships between _pdbx_struct_entity_inst.id and
categories outside the _pdbx_struct_* group.
+ Added _chem_comp.pdbx_model_coordinates_db_code, _chem_comp.pdbx_initial_date,
_chem_comp.pdbx_modified_date.
+ Data types changed to int for - _atom_site.pdbx_PDB_model_num,
_struct_conf.pdbx_PDB_helix_length, _pdbx_poly_seq_scheme.ndb_seq_num,
_pdbx_struct_sheet_hbond.range_1_label_seq_id,
_pdbx_struct_sheet_hbond.range_2_label_seq_id,
_atom_site_anisotrop.pdbx_label_seq_id, _struct_conn.pdbx_ptnr3_label_seq_id.
+ _em_vitrification.humidity data type changed to float.
+ category key for refine_ls_restr_ncs changed to
_refine_ls_restr_ncs.dom_id, _refine_ls_restr_ncs.pdbx_type,
_refine_ls_restr_ncs.pdbx_asym_id.
1.041 2007-04-04
Changes: (jdw)
Adjust category key for PDBX_VERSION category.
Update definition of _pdbx_struct_oper_list.id
1.040 2007-03-20
Changes: (jdw)
+ skip version 1.039 to sync with remediation dictionary version.
+ Updated enumerations and boundary values for _pdbx_database_status.deposit_site
*.isotopic_labeling, _citation.pdbx_database_id_PubMed.
1.038 2007-02-02
Changes: (jdw)
+ Added category PDBX_VERSION.
1.037 2006-12-15
Changes: (jdw)
+ corrected type in _chem_comp.pdbx_ideal_coordinates_details
_chem_comp.pdbx_model_coordinates_details definitions.
+ added _chem_comp.pdbx_ideal_coordinates_missing_flag
+ added _chem_comp.pdbx_model_coordinates_missing_flag
+ In chem_comp_atom /bond - added missing enumerations for atom/bond
stereo_config and aromatic flags.
+ added PUBCHEM_SID and PUBCHEM_CID to pdbx_chem_comp_identifier.type.
1.036 2006-11-14
Changes: (jdw)
+ revise category keys in pdbx_chem_comp_atom_edit
and pdbx_chem_comp_bond_edit.
+ removed unused category pdbx_chem_comp_protonation_site
+ added _chem_comp.pdbx_model_coordinates_details and
_chem_comp.pdbx_ideal_coordinates_details.
1.035 2006-11-05
Changes: (jdw)
+ missing data types in pdbx_struct_msym/asym_gen.
+ _citation.pdbx_unpublished enum typo
1.034 2006-11-01
Changes: (jdw)
+ Adjust mandatory codes for pdbx_entity_inst_id.
1.033 2006-10-16
Changes: (jdw)
+ Correct typos pdbx_chem_comp_descriptors/identifiers
+ add ordinal data items to these cateogories.
+ added _pdbx_refine.free_R_error_no_cutoff
1.032 2006-10-12
Changes: (jdw)

+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
pdbx_struct_chem_comp_diagnostics

+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
1.031 2006-08-10
Changes: (jdw)
+ Correct typo in new definitions - change
_chem_comp_atom.pdbx_model_Cartn_[xyz]_2 to [xyz]_ideal
+ Add enum for NYSGXRC
+ Add enum for HOLD FOR 8 WEEKS.
1.030 2006-06-27
Changes: (zf)
+ fixed the alias for _pdbx_refine_tls_group.beg_auth_seq_id item
1.029 2006-06-12
Changes: (jdw)
+ More additions to enumerations for SG sites.
+ revise enumerations for status codes.
1.028 2006-05-11
Changes: (jdw)
+ Make _chemp_comp.pdbx_replaces a comma separated list.
+ Adjust enumerations for SG sites
1.027 2006-05-01
Changes: (jdw)
+ add _chemp_comp.pdbx_replaces/pdbx_replaced_by
1.026 2006-04-27
Changes: (jdw)
+ add 4 week enumeration/example for HOLD status items
+ add pdbx_ordinal items for chem_comp_atom/bond and pdbx_ambiguous_flag
to chem_comp.
1.025 2006-04-18
Changes: (jdw)
+ fix data type for _entity_poly.type
1.024 2006-04-13
Changes: (jdw)
+ Correct alias for _struct_site_gen.pdbx_auth_ins_code.
+ Add enum 'polydeoxyribonucleotide/polyribonucleotide hybrid' to entity_poly.type.
+ update enums in pdbx_SG_project.
1.023 2006-03-01
Changes: (jdw)
+ Add _pdbx_contact_author.continent
+ Remove enums for _pdbx_contact_author.country
+ Added EMDB, TARGETDB, PEPCDB to _pdbx_database_related.db_name examples and
associated EM volume, associated NMR restraints, associated
structure factors, and associated protein target sequence/protocol
data to _pdbx_database_related.content_type.
1.022 2006-02-24
Changes: (jdw)
+ Fixed syntax issues (ie. extra loop_) in items in _pdbx_construct.*
+ Added missing category groups in standard dictionary section 1.
+ Fixed category error for item _chem_comp_atom.pdbx_align
1.021 2005-10-12
Changes: (jdw)
+ added categories pdbx_refine_component, pdbx_chem_comp_descriptor,
pdbx_chem_comp_identifier, pdbx_chem_comp_import,pdbx_chem_comp_atom_edit,
pdbx_chem_comp_bond_edit, and pdbx_chem_comp_audit.
+ added stereochemistry and aromaticity flags to chem_comp_atom and
chem_comp_bond.
+ added alternate component and atom nomenclature to chem_comp_atom.
+ added alternate model coordinates to chem_comp_atom category
1.020 2005-08-23
Changes: (jdw)
+ Correct typos in pdbx_feature_monomer.
+ Correct typos in examples in categories refine and publ_manuscript_incl
1.019 2005-07-21
Changes: (jdw)
+ Added _struct.pdbx_formula_weight and _struct.pdbx_formula_weight_method
+ Added _refln.pdbx_HL_A_iso, _refln.pdbx_HL_B_iso, _refln.pdbx_HL_C_iso,
and _refln.pdbx_HL_D_iso
+ Added _phasing_set.pdbx_d_res_low/high _pdbx_phasing_MR.native_data_set_id
+ Added category pdbx_feature_monomer
1.018 2005-07-14
Changes: (jdw)
+ Added PDB_SOLN_SCATTER* definitions
+ Added _refln.pdbx_[F,I]_[minus,plus] and
_refln.pdbx_[F,I]_[minus,plus]_sigma
+ Extend enumeration for _pdbx_database_status.status_code_sf
1.017 2005-06-27
Changes: (BMcM)
+ added _reflns.threshold_expression and _publ_author.email
+ numerous minor changes to wordings of definitions to align with mmcif
version 2.0.09 as released on International Tables G CD-ROM
1.016 2005-06-24
Changes: (jdw)
+ aliases repointed for items in category pdbx_database_remark
+ Added the following items:
_diffrn_detector.pdbx_frames_total
_diffrn_detector.pdbx_collection_time_total
_refine.pdbx_ls_sigma_Fsqd
_reflns.pdbx_Rmerge_I_all
_reflns.pdbx_netI_over_sigmaI
_reflns.pdbx_res_netI_over_av_sigmaI_2
_reflns.pdbx_res_netI_over_sigmaI_2
_reflns_shell.pdbx_netI_over_sigmaI_all
_reflns_shell.pdbx_netI_over_sigmaI_obs
_struct_biol.pdbx_formula_weight
_struct_biol.pdbx_formula_weight_method
_struct_biol_gen.pdbx_PDB_order
_phasing_MAD.pdbx_number_data_sets
_phasing_MAD.pdbx_anom_scat_method
_phasing_MIR.pdbx_number_derivatives
_phasing_set.pdbx_temp_details

+ miscellaneous editorial changes in descriptions and enumerations.
1.015 2005-04-15
Changes: (jdw)
+ remove _entity_keywords.text from category key
1.014 2005-04-08
Changes: (jdw)
+ remove _struct_keywords.text from category key
1.013 2005-04-05
Changes: (jdw)
+ Temporarily remove definitions from Image CIF dictionary
+ Added mandatory code for _cell.reciprocal_angle_beta
+ Added mandatory code for _pdbx_entity_nonpoly.entity_id
+ Fixed category attribute for _reflns_shell.pdbx_chi_squared
+ Changed mandatory code for _software.citation_id
1.012 2005-03-29
Changes: (kh/jdw)
+ added preliminary set of extensions for macromolecular powder diffraction
experiments, including:
_pdbx_exptl_pd (category)
_pdbx_exptl_pd.entry.id
_pdbx_exptl_pd.spec_preparation_pH
_pdbx_exptl_pd.spec_preparation_pH_range
_pdbx_exptl_pd.spec_preparation
_diffrn_radiation.pdbx_analyzer
_refine.pdbx_pd_number_of_powder_patterns
_refine.pdbx_pd_number_of_points
_refine.pdbx_pd_meas_number_of_points
_refine.pdbx_pd_proc_ls_prof_R_factor
_refine.pdbx_pd_proc_ls_prof_wR_factor
_refine.pdbx_pd_Marquardt_correlation_coeff
_refine.pdbx_pd_Fsqrd_R_factor
_refine.pdbx_pd_ls_matrix_band_width
Changes: (fzk)
removed 'National Project on Protein Structural and Functional Analyses' from
_pdbx_SG_project.full_name_of_center,
added 'National Project on Protein Structural and Functional Analyses' to
_pdbx_SG_project.project_name
1.011 2005-03-08
Changes: (jdw)
+ Included extensions from mmCIF dictionary...
Changes: (fzk)
+ add _pdbx_refine_tls_group.beg_auth_asym_id
+ add _pdbx_refine_tls_group.end_auth_asym_id
+ add enumeration values 'SGC' and 'NPPSFA' for
_pdbx_SG_project.initial_of_center
+ add enumeration values 'Structural Genomics Consortium' and
'National Project on Protein Structural and Functional Analyses'
for _pdbx_SG_project.full_name_of_center
+ fix _item_description.description for _entity_poly.pdbx_target_identifier
1.010 2005-01-25
Changes: (jdw)
+ change mandatory doc for _pdbx_database_status.SG_entry
+ fix key in category pdbx_database_PDB_obs_spr
1.009 2005-01-13
Changes: (zkf)
+ add _pdbx_database_status.status_code_sf item
+ add _pdbx_database_status.date_of_sf_release item
+ add _pdbx_database_status.status_code_mr item
+ add _pdbx_database_status.date_of_mr_release item
+ add _pdbx_database_status.SG_entry item
+ add _entity_poly.pdbx_target_identifier item
+ add pdbx_SG_project category
+ fixed enumeration values for _software.language
1.008 2004-11-15
Changes: (jdw)
+ fix typo in category save frame name pdbx_exptl_crystal_grow_comp.
1.007 2004-11-02
Changes: (jdw)
+ added pdbx_entity_prod_protocol, pdbx_exptl_crystal_grow_sol,
pdbx_exptl_crystal_grow_comp, and pdbx_exptl_crystal_cryo_treatment
categories
+ relax enumerations in cryo-em dictionary.
+ remove upper-bound for refine.occupancy_max
1.006 2004-10-10
Changes: (jdw)
+ Update enumerations in cryo-em dictionary.
1.005 2004-09-28
Changes: (zkf,jdw)
+ 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 in pdbx_contact_author.role
1.004 2004-08-04
Changes: (jdw)
+ Fix many data type errors in phasing section.
+ Add pdbx_contact_author
1.003 2004-06-16
Changes: (jdw)
+ Fix miscellaneous unresolved links.
1.002 2004-06-09
Changes: (jdw)
+ Added categories PDBX_DOMAIN, PDBX_SEQUENCE_RANGE,
PDBX_FEATURE_ENTRY, PDBX_FEATURE_ASSEMBLY, PDBX_FEATURE_DOMAIN,
and PDBX_FEATURE_SEQUENCE_RANGE.
1.001 2004-05-21
Changes: (jdw)
+ Fixed incorrect category in _pdbx_audit_author.address
+ Added _citation.pdbx_database_id_DOI
+ Fixed placement of _chem_comp.pdbx_align. Moved this item
to _chem_comp_atom.pdbx_align
1.000 2004-04-22
Changes: (jdw)
+ New packaging and naming
+ Integrate 3d em definitions
+ Relax enumerations to comply with existing legacy data.
+ Version to 1.000
0.020 2003-10-30
Changes: (jdw/zf)
+ Fix cases where category keys are not flagged as mandatory
+ Add category PDBX_AUDIT_AUTHOR
0.019 2003-09-21
Changes: (jdw/hy)
+ Added additional phasing items for PDB_EXTRACT.
0.018 2003-07-07
Changes: (jdw)
+ Integrated protein production data items.
0.017 2002-10-05
Changes: (jdw)
+ Final corrections of recommendations for NMR and X-ray deposition for
structural genomics.
0.016 2002-08-05
Changes: (jdw)
+ Add PDBX_AUDIT category.
0.015 2002-05-22
Changes: (jdw)
+ Add PDBX_ENTITY_NONPOLY and fix missing data type codes.
0.014 2002-02-28
Changes: (jdw)
+ Add items for NMR model and PDB insert code to GEOM_BOND, GEOM_ANGLE,
GEOM_CONTACT, and GEOM_TORSION categories.
0.013 2001-07-12
Changes: (jdw)
+ enumerations->examples for _pdbx_nmr_representative.selection_criteria and
_pdbx_database_related.db_name.
+ add regex for int and float ranges
0.012 2001-06-28
Changes: (jdw)
+ _atom_site_anisotrop.pdbx_auth_* aliases corrected.
+ adjust regex for date:time type
0.011 2001-06-14
Changes: (jdw)
+ Moved enumerations to examples for _pdbx_nmr_spectrometer.field_strength
+ _atom_site.pdb_auth_atom_name data type changed from code to atcode.
0.010 2001-04-18
Changes: (jdw)
+ Added missing _item_type.codes for
_refine_hist.number_atoms_solvent
_refine_hist.number_atoms_total
_refine.overall_SU_B
_refine.overall_SU_ML
_refine.pdbx_overall_ESU_R
+ Added CCP4 data items output from REFMAC V5.
0.009 2001-03-02
Changes: (jdw)
+ Added missing mandatory codes and reset aliases for
_diffrn_radiation.pdbx_wavelenth_list.
0.008 2001-01-22
Changes: (jdw)
+ Added item _pdbx_database_status.dep_release_code_sequence
0.007 2000-11-09
Changes: (jdw)
+ Added mandatory codes for _exptl_crystal_grow.pdbx_details and
_exptl_crystal_grow.pdbx_pH_range.
+ Added missing data types and category ids in category
pdbx_struct_sheet_hbond.
+ Updated data type for atom name references to atcode.
+ Updated aliases for _refine.overall_SU_B and _refine.overall_SU_ML.
+ Trimmed line lengths > 80 characters.
0.006 2000-10-26
Changes: (jdw)
+ Added _exptl_crystal_grow.rcsb_pH_range.
+ Added category PDBX_STRUCT_SHEET_HBOND to hold single hydrogen
bond registration between beta sheet strands.
0.005 2000-10-25 Changes: (jdw)
+ drop category PDBX_DATABASE_REMARK
0.004 2000-10-24 Changes: (jdw)
+ Added optional timestamps to data items.
+ Repositioned parent items in PDBX_POLY_SEQ_SCHEME.
0.003 2000-10-16 Changes: (jdw)
+ Move enumerations to examples for:
_pdbx_nmr_exptl.type
_pdbx_nmr_ensemble.conformer_selection_criteria
_pdbx_nmr_software.name
_struct_keywords.pdbx_keywords
+ Added _atom_site_anisotrop.pdbx_auth_* items
+ Added _struct_mon_prot_cis.pdbx_
+ Added _struct_conn.pdbx_ptnr3_auth_* items.
0.002 2000-06-06 Changes: (jdw)
+ Added items in refine_hist and exptl_crystal_grow
0.001 2000-05-23
Initial revision based on RCSB local dictionaries
and EBI database schema. J. Westbrook and J. Ionides
Data Type Code Primitive Type Code Regular Expression Description
any char .* A catch all for items that may take any form...
atcode char [][ _(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]* Character data type for atom names ...
binary char \n--CIF-BINARY-FORMAT-SECTION--\n\
[][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*\
\n--CIF-BINARY-FORMAT-SECTION----
binary items are presented as MIME-like ascii-encoded
sections in an imgCIF. In a CBF, raw octet streams
are used to convey the same information.
code char [][_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]* code item types/single words ...
code30 char .?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.? A string value, not allowed to exceed 30 characters.
ec-type char ([1-6]((.[1-9][0-9]?)|(.-))((.[1-9][0-9]?)|(.-))((.[1-9][0-9]?[0-9]?)|(.-)))(([ ]*,[ ]*)([1-6]((.[1-9][0-9]?)|(.-))((.[1-9][0-9]?)|(.-))((.[1-9][0-9]?[0-9]?)|(.-))))*
Approximate format of Enzyme Commission EC number. 1.2.3.4 with
optional parts.
email uchar [_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]* code item types/single words (case insensitive) ...
fax uchar [_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]* code item types/single words (case insensitive) ...
float numb -?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? float item types are the subset of numbers that are the floating
numbers.
float-range numb -?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?(--?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?)? int item types are the subset of numbers that are the floating
numbers.
idname uchar [_A-Za-z0-9]+ idname item types take the form...
int numb [+-]?[0-9]+ int item types are the subset of numbers that are the negative
or positive integers.
int-range numb -?[0-9]+(--?[0-9]+)? int item types are the subset of numbers that are the negative
or positive integers with optional range.
line char [][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*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_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]* sequence of parenthetical integer ranges and character codes
orcid_id char [0-9]{4}-[0-9]{4}-[0-9]{4}-([0-9]{3}X|[0-9]{4}) ORCID pattern - dddd-dddd-dddd-dddd|dddX
phone uchar [_,.;:"&<>/\{}'`~!@#$%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 with optional time stamp.
yyyy-mm-dd:hh:mm-flex char [0-9][0-9][0-9][0-9](-[0-9]?[0-9])?(-[0-9][0-9])?(:[0-9]?[0-9]:[0-9][0-9])?
Flexible date-time format.
SubCategory 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 Identifier Description
8pi2_angstroms_squared 8pi2 * Angstroms squared (metres * 10(-10))2
angstroms Angstroms (metres * 10(-10))
angstroms_cubed Angstroms cubed (metres * 10(-10))3
angstroms_degrees Angstroms * degrees
angstroms_squared Angstroms squared (metres * 10(-10))2
arbitrary arbitrary system of units.
celsius degrees (of temperature) Celsius
centimetres centimetres (metres * 10( -2))
counts counts
counts_per_photon counts per photon
degrees degrees (of arc)
degrees_per_minute degrees (of arc) per minute
degrees_squared degrees squared
electron_volts electron volts
electrons electrons
electrons_angstrom_squared electrons square Angstrom
electrons_per_angstroms_cubed electrons per Angstroms cubed (electrons/(metres * 10(-10))(-3))
electrons_per_nanometres_cubed electrons per nanometres cubed (electrons/(metres * 10( -9))(-3))
electrons_per_picometres_cubed electrons per picometres cubed (electrons/(metres * 10(-12))(-3))
electrons_squared electrons squared
femtometres femtometres (metres * 10(-15))
gigapascals gigapascals
hours hours
kelvins degrees (of temperature) Kelvin
kilodaltons kilodaltons
kilopascals kilopascals
kilovolts kilovolts
kilowatts kilowatts
megadaltons megadaltons
megagrams_per_cubic_metre megagrams per cubic metre
metres metres (metres)
mg_per_ml milliliter per milligram
microns microns
microns_squared microns squared
microseconds microseconds
milliamperes milliamperes
milligrams grams / 1000
milliliters liter / 1000
millimetres millimetres (metres * 10( -3))
millimolar millimolar
minutes minutes
ml_per_min milliliter per minute
nanometres nanometres (metres * 10( -9))
nanometres_cubed nanometres cubed (metres * 10( -9))3
nanometres_squared nanometres squared (metres * 10( -9))2
picometres picometres (metres * 10(-12))
picometres_cubed picometres cubed (metres * 10(-12))3
picometres_squared picometres squared (metres * 10(-12))2
pixels_per_millimetre pixels per millimetre
reciprocal_angstroms reciprocal angstroms ((metres * 10(-10))(-1))
reciprocal_centimetres reciprocal centimetres ((metres * 10( -2))(-1))
reciprocal_metres reciprocal metres (metres(-1))
reciprocal_millimetres reciprocal millimetres ((metres * 10( -3))(-1))
reciprocal_nanometres reciprocal nanometres ((metres * 10( -9))(-1))
reciprocal_picometres reciprocal picometres ((metres * 10(-12))(-1))
seconds seconds

Units Conversion List

From Units&Identifier To Units&Identifier Operator Conversion Factor
metres centimetres * 1.0E+02
metres millimetres * 1.0E+03
metres nanometres * 1.0E+09
metres angstroms * 1.0E+10
metres picometres * 1.0E+12
metres femtometres * 1.0E+15
centimetres millimetres * 1.0E+01
centimetres nanometres * 1.0E+07
centimetres angstroms * 1.0E+08
centimetres picometres * 1.0E+10
centimetres femtometres * 1.0E+13
millimetres centimetres * 1.0E-01
millimetres nanometres * 1.0E+06
millimetres angstroms * 1.0E+07
millimetres picometres * 1.0E+09
millimetres femtometres * 1.0E+12
nanometres centimetres * 1.0E-07
nanometres millimetres * 1.0E-06
nanometres angstroms * 1.0E+01
nanometres picometres * 1.0E+03
nanometres femtometres * 1.0E+06
angstroms centimetres * 1.0E-08
angstroms millimetres * 1.0E-07
angstroms nanometres * 1.0E-01
angstroms picometres * 1.0E+02
angstroms femtometres * 1.0E+05
picometres centimetres * 1.0E-10
picometres millimetres * 1.0E-09
picometres nanometres * 1.0E-03
picometres angstroms * 1.0E-02
picometres femtometres * 1.0E+03
femtometres centimetres * 1.0E-13
femtometres millimetres * 1.0E-12
femtometres nanometres * 1.0E-06
femtometres angstroms * 1.0E-05
femtometres picometres * 1.0E-03
reciprocal_centimetres reciprocal_millimetres * 1.0E-01
reciprocal_centimetres reciprocal_nanometres * 1.0E-07
reciprocal_centimetres reciprocal_angstroms * 1.0E-08
reciprocal_centimetres reciprocal_picometres * 1.0E-10
reciprocal_millimetres reciprocal_centimetres * 1.0E+01
reciprocal_millimetres reciprocal_nanometres * 1.0E-06
reciprocal_millimetres reciprocal_angstroms * 1.0E-07
reciprocal_millimetres reciprocal_picometres * 1.0E-09
reciprocal_nanometres reciprocal_centimetres * 1.0E+07
reciprocal_nanometres reciprocal_millimetres * 1.0E+06
reciprocal_nanometres reciprocal_angstroms * 1.0E-01
reciprocal_nanometres reciprocal_picometres * 1.0E-03
reciprocal_angstroms reciprocal_centimetres * 1.0E+08
reciprocal_angstroms reciprocal_millimetres * 1.0E+07
reciprocal_angstroms reciprocal_nanometres * 1.0E+01
reciprocal_angstroms reciprocal_picometres * 1.0E-02
reciprocal_picometres reciprocal_centimetres * 1.0E+10
reciprocal_picometres reciprocal_millimetres * 1.0E+09
reciprocal_picometres reciprocal_nanometres * 1.0E+03
reciprocal_picometres reciprocal_angstroms * 1.0E+01
nanometres_squared angstroms_squared * 1.0E+02
nanometres_squared picometres_squared * 1.0E+06
angstroms_squared nanometres_squared * 1.0E-02
angstroms_squared picometres_squared * 1.0E+04
angstroms_squared 8pi2_angstroms_squared * 78.9568
picometres_squared nanometres_squared * 1.0E-06
picometres_squared angstroms_squared * 1.0E-04
nanometres_cubed angstroms_cubed * 1.0E+03
nanometres_cubed picometres_cubed * 1.0E+09
angstroms_cubed nanometres_cubed * 1.0E-03
angstroms_cubed picometres_cubed * 1.0E+06
picometres_cubed nanometres_cubed * 1.0E-09
picometres_cubed angstroms_cubed * 1.0E-06
kilopascals gigapascals * 1.0E-06
gigapascals kilopascals * 1.0E+06
hours minutes * 6.0E+01
hours seconds * 3.6E+03
hours microseconds * 3.6E+09
minutes hours / 6.0E+01
minutes seconds * 6.0E+01
minutes microseconds * 6.0E+07
seconds hours / 3.6E+03
seconds minutes / 6.0E+01
seconds microseconds * 1.0E+06
microseconds hours / 3.6E+09
microseconds minutes / 6.0E+07
microseconds seconds / 1.0E+06
celsius kelvins - 273.0
kelvins celsius + 273.0
electrons_per_nanometres_cubed electrons_per_angstroms_cubed * 1.0E+03
electrons_per_nanometres_cubed electrons_per_picometres_cubed * 1.0E+09
electrons_per_angstroms_cubed electrons_per_nanometres_cubed * 1.0E-03
electrons_per_angstroms_cubed electrons_per_picometres_cubed * 1.0E+06
electrons_per_picometres_cubed electrons_per_nanometres_cubed * 1.0E-09
electrons_per_picometres_cubed electrons_per_angstroms_cubed * 1.0E-06