| AtomSite |
Data items in the ATOM_SITE category record details about
the atom sites in a macromolecular crystal structure, such as
the positional coordinates, atomic displacement parameters,
magnetic moments and directions.
|
| AtomSiteAnisotrop |
Data items in the ATOM_SITE_ANISOTROP category record details
about anisotropic displacement parameters.
|
| AtomSites |
Data items in the ATOM_SITES category record details about
the crystallographic cell and cell transformations, which are
common to all atom sites.
|
| AtomSitesAlt |
Data items in the ATOM_SITES_ALT category record details
about the structural ensembles that should be generated from
atom sites or groups of atom sites that are modelled in
alternative conformations in this data block.
|
| AtomSitesAltEns |
Data items in the ATOM_SITES_ALT_ENS category record details
about the ensemble structure generated from atoms with various
alternative conformation IDs.
|
| AtomSitesAltGen |
Data items in the ATOM_SITES_ALT_GEN category record details
about the interpretation of multiple conformations in the
structure.
|
| AtomSitesFootnote |
Data items in the ATOM_SITES_FOOTNOTE category record detailed
comments about an atom site or a group of atom sites.
|
| AtomType |
Data items in the ATOM_TYPE category record details about the
properties of the atoms that occupy the atom sites, such as the
atomic scattering factors.
|
| Audit |
Data items in the AUDIT category record details about the
creation and subsequent updating of the data block.
|
| AuditAuthor |
Data items in the AUDIT_AUTHOR category record details about
the author(s) of the data block.
|
| AuditConform |
Data items in the AUDIT_CONFORM category describe the
dictionary versions against which the data names appearing in
the current data block are conformant.
|
| AuditContactAuthor |
Data items in the AUDIT_CONTACT_AUTHOR category record details
about the name and address of the author to be contacted
concerning the content of this data block.
|
| AuditLink |
Data items in the AUDIT_LINK category record details about the
relationships between data blocks in the current CIF.
|
| Cell |
Data items in the CELL category record details about the
crystallographic cell parameters.
|
| CellMeasurement |
Data items in the CELL_MEASUREMENT category record details
about the measurement of the crystallographic cell parameters.
|
| CellMeasurementRefln |
Data items in the CELL_MEASUREMENT_REFLN category record
details about the reflections used to determine the
crystallographic cell parameters.
|
| ChemComp |
Data items in the CHEM_COMP category give details about each
of the chemical components from which the relevant chemical
structures can be constructed, such as name, mass or charge.
|
| ChemCompAngle |
Data items in the CHEM_COMP_ANGLE category record details about
angles in a chemical component.
|
| ChemCompAtom |
Data items in the CHEM_COMP_ATOM category record details about
the atoms in a chemical component.
|
| ChemCompBond |
Data items in the CHEM_COMP_BOND category record details about
the bonds between atoms in a chemical component.
|
| ChemCompChir |
Data items in the CHEM_COMP_CHIR category provide details about
the chiral centres in a chemical component.
|
| ChemCompChirAtom |
Data items in the CHEM_COMP_CHIR_ATOM category enumerate the
atoms bonded to a chiral atom within a chemical component.
|
| ChemCompLink |
Data items in the CHEM_COMP_LINK category give details about
the links between chemical components.
|
| ChemCompPlane |
Data items in the CHEM_COMP_PLANE category provide identifiers
for the planes in a chemical component.
|
| ChemCompPlaneAtom |
Data items in the CHEM_COMP_PLANE_ATOM category enumerate the
atoms in a plane within a chemical component.
|
| ChemCompTor |
Data items in the CHEM_COMP_TOR category record details about
the torsion angles in a chemical component.
|
| ChemCompTorValue |
Data items in the CHEM_COMP_TOR_VALUE category record details
about the target values for the torsion angles enumerated in the
CHEM_COMP_TOR list.
|
| Chemical |
Data items in the CHEMICAL category would not in general be
used in a macromolecular CIF.
|
| ChemicalConnAtom |
Data items in the CHEMICAL_CONN_ATOM category would not, in
general, be used in a macromolecular CIF.
|
| ChemicalConnBond |
Data items in the CHEMICAL_CONN_BOND category would not, in
general, be used in a macromolecular CIF.
|
| ChemicalFormula |
Data items in the CHEMICAL_FORMULA category would not, in
general, be used in a macromolecular CIF.
|
| ChemLink |
Data items in the CHEM_LINK category give details about
the links between chemical components.
|
| ChemLinkAngle |
Data items in the CHEM_LINK_ANGLE category record details
about angles in a link between chemical components.
|
| ChemLinkBond |
Data items in the CHEM_LINK_BOND category record details about
bonds in a link between components in the chemical structure.
|
| ChemLinkChir |
Data items in the CHEM_LINK_CHIR category provide details about
the chiral centres in a link between two chemical components.
|
| ChemLinkChirAtom |
Data items in the CHEM_LINK_CHIR_ATOM category enumerate the
atoms bonded to a chiral atom in a link between two
chemical components.
|
| ChemLinkPlane |
Data items in the CHEM_LINK_PLANE category provide identifiers
for the planes in a link between two chemical components.
|
| ChemLinkPlaneAtom |
Data items in the CHEM_LINK_PLANE_ATOM category enumerate the
atoms in a plane in a link between two chemical components.
|
| ChemLinkTor |
Data items in the CHEM_LINK_TOR category record details about
the torsion angles in a link between two chemical components.
|
| ChemLinkTorValue |
Data items in the CHEM_LINK_TOR_VALUE category record details
about the target values for the torsion angles enumerated in the
CHEM_LINK_TOR list.
|
| Citation |
Data items in the CITATION category record details about the
literature cited as being relevant to the contents of the data
block.
|
| CitationAuthor |
Data items in the CITATION_AUTHOR category record details
about the authors associated with the citations in the
CITATION list.
|
| CitationEditor |
Data items in the CITATION_EDITOR category record details
about the editors associated with the books or book chapters
cited in the CITATION list.
|
| Computing |
Data items in the COMPUTING category record details about the
computer programs used in the crystal structure analysis.
|
| Database |
Data items in the DATABASE category have been superseded by
data items in the DATABASE_2 category.
|
| Database2 |
Data items in the DATABASE_2 category record details about the
database identifiers of the data block.
|
| DatabasePDBCaveat |
Data items in the DATABASE_PDB_CAVEAT category record details
about features of the data block flagged as 'caveats' by the
Protein Data Bank (PDB).
|
| DatabasePDBMatrix |
The DATABASE_PDB_MATRIX category provides placeholders for
transformation matrices and vectors used by the Protein Data
Bank (PDB).
|
| DatabasePDBRemark |
Data items in the DATABASE_PDB_REMARK category record details
about the data block as archived by the Protein Data Bank (PDB).
|
| DatabasePDBRev |
Data items in the DATABASE_PDB_REV category record details
about the history of the data block as archived by the Protein
Data Bank (PDB).
|
| DatabasePDBRevRecord |
Data items in the DATABASE_PDB_REV_RECORD category record
details about specific record types that were changed in a
given revision of a PDB entry.
|
| DatabasePDBTvect |
The DATABASE_PDB_TVECT category provides placeholders for
the TVECT matrices and vectors used by the Protein Data
Bank (PDB).
|
| Diffrn |
Data items in the DIFFRN category record details about the
diffraction data and their measurement.
|
| DiffrnAttenuator |
Data items in the DIFFRN_ATTENUATOR category record details
about the diffraction attenuator scales employed.
|
| DiffrnDetector |
Data items in the DIFFRN_DETECTOR category describe the
detector used to measure the scattered radiation, including
any analyser and post-sample collimation.
|
| DiffrnMeasurement |
Data items in the DIFFRN_MEASUREMENT category record details
about the device used to orient and/or position the crystal
during data measurement and the manner in which the diffraction
data were measured.
|
| DiffrnOrientMatrix |
Data items in the DIFFRN_ORIENT_MATRIX category record details
about the orientation matrix used in the measurement of the
diffraction data.
|
| DiffrnOrientRefln |
Data items in the DIFFRN_ORIENT_REFLN category record details
about the reflections that define the orientation matrix used in
the measurement of the diffraction intensities.
|
| DiffrnRadiation |
Data items in the DIFFRN_RADIATION category describe
the radiation used in measuring the diffraction intensities,
its collimation and monochromatization before the sample.
|
| DiffrnRadiationWavelength |
Data items in the DIFFRN_RADIATION_WAVELENGTH category
describe the wavelength of the radiation used to measure the
diffraction intensities.
|
| DiffrnRefln |
Data items in the DIFFRN_REFLN category record details about
the intensities in the diffraction data set
identified by _diffrn_refln.diffrn_id.
|
| DiffrnReflns |
Data items in the DIFFRN_REFLNS category record details about
the set of intensities measured in the diffraction experiment.
|
| DiffrnReflnsClass |
Data items in the DIFFRN_REFLNS_CLASS category record details
about the classes of reflections measured in the diffraction
experiment.
|
| DiffrnScaleGroup |
Data items in the DIFFRN_SCALE_GROUP category record details
of the scaling factors applied to place all intensities in the
reflection lists on a common scale.
|
| DiffrnSource |
Data items in the DIFFRN_SOURCE category record details of
the source of radiation used in the diffraction experiment.
|
| DiffrnStandardRefln |
Data items in the DIFFRN_STANDARD_REFLN category record details
about the reflections treated as standards during the measurement
of a set of diffraction intensities.
|
| DiffrnStandards |
Data items in the DIFFRN_STANDARDS category record details
about the set of standard reflections used to monitor intensity
stability during the measurement of diffraction intensities.
|
| Em2dCrystalEntity |
Data items in the EM_SYMMETRY_2DX category record
2D crystal symmetry parameters utilized in a 3DEM reconstruction.
|
| Em2dProjectionSelection |
Data items in the EM_2D_PROJECTION_SELECTION category
record details of images from scanned micrographs and the
number of particles selected from a scanned set of micrographs.
|
| Em3dCrystalEntity |
Data items in the EM_SYMMETRY_3DX category record
3D crystal symmetry parameters utilized in 3DEM reconstruction averaging.
|
| Em3dFitting |
Data items in the 3D_FITTING category
record details of the method of fitting atomic
coordinates from a PDB file into a 3d-em
volume map file
|
| Em3dFittingList |
Data items in the 3D_FITTING_LIST category
lists the methods of fitting atomic coordinates from a PDB file
into a 3d-em volume map file
|
| Em3dReconstruction |
Data items in the EM_3D_RECONSTRUCTION category
record details of the 3D reconstruction procedure from 2D projections.
|
| EmAdmin |
Administration-related data items
|
| EmAssembly |
Data items in the EM_ASSEMBLY category record details
about the imaged EM sample.
|
| EmAuthorList |
Category to collect the authors of this entry
|
| EmBuffer |
Data items in the BUFFER category
record details of the sample buffer.
|
| EmBufferComponent |
Buffer category
|
| EmCrystalFormation |
Description of growth of a 2D, 3D, or helical crystal array.
|
| EmCtfCorrection |
Description of the Contrast Transfer Function (CTF) correction
|
| EmDbReference |
Category holds links to raw data sources for the entry, e.g.,
held by a remote server.
|
| EmDbReferenceAuxiliary |
Category holds links to raw data sources for the entry, e.g.,
held by a remote server.
|
| EmDepositorInfo |
Data items in the EM_DEPOSITOR INFO category record parameters for EM depositions
that are provided by the depositor
|
| EmDepui |
Some internal items to power the deposition interface
|
| EmDetector |
Data items in the EM_DETECTOR category record details
of the image detector type.
|
| EmDiffraction |
Microscopy parameters relevant only for crystallography
|
| EmDiffractionShell |
Statistical parameters for electron diffraction measurements
within a resolution shell
|
| EmDiffractionStats |
Statistical parameters for electron diffraction measurements
|
| EmEmbedding |
Sugar embedding category
|
| EmEntityAssembly |
Data items in the EM_ENTITY_ASSEMBLY category
record details about each component of
the complex.
|
| EmEntityAssemblyMolwt |
Data items in this category record details about the molecular weight of
an assembly component of the sample.
|
| EmEntityAssemblyNaturalsource |
Data items in this category record taxonomic details about the natural source for EM
assemblies and assembly components.
|
| EmEntityAssemblyRecombinant |
Data items in this category record details
about recombinant expression of the assembly or assembly component.
|
| EmEulerAngleAssignment |
Category to describe the euler angle assignement
|
| EmExperiment |
Data items in the EM_EXPERIMENT category provide
high-level classification of the EM experiment.
|
| EmFiducialMarkers |
Description of fiducial markers.
|
| EmFigureDepositorInfo |
Listing of image files (figures) associated with an EMDB entry
|
| EmFinalClassification |
Information about the final image classification
|
| EmFocusedIonBeam |
Description of sectioning by focused_ion_beam
|
| EmFscCurve |
Data items in the EMD_VALIDATION_FSC_CURVE category
record details of the Fourier Shell Correlation (FSC) curve file.
|
| EmGridPretreatment |
Data items describing glow discharge pretreatment for an EM grid
|
| EmHelicalEntity |
Data items in the EM_HELICAL_ENTITY category record details
for a helical or filament type of assembly component.
|
| EmHighPressureFreezing |
Description of high pressure freezing
|
| EmImageProcessing |
Data items in the EM_IMAGE_PROCESSING category
record details of the EM image processing procedure.
|
| EmImageRecording |
Data items in the EM_IMAGE_RECORDING category record details
of the image recording (either film/microdensitometer or electronic detector)
and parameters for image digitization.
|
| EmImageScans |
Data items in the EM_IMAGE_SCANS category record details
of the image scanning device (microdensitometer)
and parameters for digitization of the image.
|
| EmImaging |
Data items in the EM_IMAGING category record details about
the parameters used in imaging the sample in the electron microscope.
|
| EmImagingOptics |
Description of a few specialist optics apparatus
|
| EmInterpretFigure |
Listing of all layer line files associated with the EM entry
|
| EmLayerLines |
Listing of all layer line files associated with the EM entry
|
| EmLayerLinesDepositorInfo |
Listing of layer line files associated with the EM entry
|
| EmMap |
Data items in the EMD_MAP category record parameters of the CCP4 binary-format map file header
(see ftp://ftp.wwpdb.org/pub/emdb/doc/map_format/EMDB_mapFormat_v1.0.pdf),
parameters derived from the map header, pixel size, contour level, and annotation details from the depositor.
|
| EmMapDepositorInfo |
Data items in the EM_MAP_DEPOSITOR INFO category record map parameters
that are provided by the depositor
|
| EmMaskDepositorInfo |
Data items in the EM_MASK_DEPOSITOR_INFO category record mask parameters
that are provided by the depositor
|
| EmObsolete |
List of EMD entries made obsolete by this entry.
|
| EmParticleSelection |
Data items in this category
record details of images from scanned micrographs and the
number of particles selected from a scanned set of micrographs.
|
| EmSamplePreparation |
Data items in the EM_SAMPLE_PREPARATION category
record details of sample conditions prior to and upon loading
onto grid support.
|
| EmSampleSupport |
Data items in the EM_SAMPLE_SUPPORT category record details
of the electron microscope grid type, grid support film and pretreatment
of whole before sample is applied
|
| EmShadowing |
Data items related to shadowing of an EM specimen
|
| EmSingleParticleEntity |
Data items in the EM_SINGLE_PARTICLE_ENTITY category provide
the details of the symmetry for a single particle entity type.
|
| EmSoftware |
Description of the software that was used for data collection, data processing,
data analysis, structure calculations and refinement.
|
| EmSpecimen |
Data items in the EMD_SPECIMEN category record details
about specimens prepared for imaging by electron microscopy.
|
| EmStaining |
Staining category
|
| EmStartModel |
The startup model employed to begin refinement of the parameters for
a 3DEM reconstruction
|
| EmStructureFactors |
Listing of all structure factor files associated with the EM entry
|
| EmStructureFactorsDepositorInfo |
Structure factor files associated with the EM entry
|
| EmSupersede |
List of newer entries that replace this entry.
|
| EmSupportFilm |
Data items to describe films supporting the specimen
|
| EmTomography |
Microscopy parameters only relevant for tomography
|
| EmTomographySpecimen |
Description specimen preparation for imaging using tomography.
|
| EmUltramicrotomy |
Description of sectioning by ultramicrotomy
|
| EmVirusEntity |
Data items in the EM_VIRUS_ENTITY category record details
of the icosahedral virus.
|
| EmVirusNaturalHost |
Data items in this category record details of a virus entity.
|
| EmVirusShell |
Data items in the EMD_VIRUS_SHELL category record details
of the viral shell number, shell diameter, and icosahedral triangulation number.
|
| EmVitrification |
Data items in the EM_VITRIFICATION category
record details about the method and cryogen used in
rapid freezing of the sample on the grid prior to its
insertion in the electron microscope
|
| EmVolumeSelection |
Volume selection in image processing
|
| Entity |
Data items in the ENTITY category record details (such as
chemical composition, name and source) about the molecular
entities that are present in the crystallographic structure.
|
| EntityKeywords |
Data items in the ENTITY_KEYWORDS category specify keywords
relevant to the molecular entities.
|
| EntityLink |
Data items in the ENTITY_LINK category give details about
the links between entities.
|
| EntityNameCom |
Data items in the ENTITY_NAME_COM category record the common name
or names associated with the entity.
|
| EntityNameSys |
Data items in the ENTITY_NAME_SYS category record the systematic
name or names associated with the entity and the system that
was used to construct the systematic name.
|
| EntityPoly |
Data items in the ENTITY_POLY category record details about the
polymer, such as the type of the polymer, the number of
monomers and whether it has nonstandard features.
|
| EntityPolySeq |
Data items in the ENTITY_POLY_SEQ category specify the sequence
of monomers in a polymer.
|
| EntitySrcGen |
Data items in the ENTITY_SRC_GEN category record details of
the source from which the entity was obtained in cases
where the source was genetically manipulated.
|
| EntitySrcNat |
Data items in the ENTITY_SRC_NAT category record details of
the source from which the entity was obtained in cases
where the entity was isolated directly from a natural tissue.
|
| Entry |
There is only one item in the ENTRY category, _entry.id.
|
| EntryLink |
Data items in the ENTRY_LINK category record the
relationships between the current data block
identified by _entry.id and other data blocks
within the current file which may be referenced
in the current data block.
|
| Exptl |
Data items in the EXPTL category record details about the
experimental work prior to the intensity measurements and
details about the absorption-correction technique employed.
|
| ExptlCrystal |
Data items in the EXPTL_CRYSTAL category record the results of
experimental measurements on the crystal or crystals used,
such as shape, size or density.
|
| ExptlCrystalFace |
Data items in the EXPTL_CRYSTAL_FACE category record details
of the crystal faces.
|
| ExptlCrystalGrow |
Data items in the EXPTL_CRYSTAL_GROW category record details
about the conditions and methods used to grow the crystal.
|
| ExptlCrystalGrowComp |
Data items in the EXPTL_CRYSTAL_GROW_COMP category record
details about the components of the solutions that were 'mixed'
(by whatever means) to produce the crystal.
|
| Geom |
Data items in the GEOM and related (GEOM_ANGLE,
GEOM_BOND, GEOM_CONTACT, GEOM_HBOND and GEOM_TORSION)
categories record details about the molecular
geometry as calculated from the contents of the ATOM, CELL
and SYMMETRY data.
|
| GeomAngle |
Data items in the GEOM_ANGLE category record details about the
bond angles as calculated from the contents
of the ATOM, CELL and SYMMETRY data.
|
| GeomBond |
Data items in the GEOM_BOND category record details about
the bond lengths as calculated from the contents
of the ATOM, CELL and SYMMETRY data.
|
| GeomContact |
Data items in the GEOM_CONTACT category record details about
interatomic contacts as calculated from the contents
of the ATOM, CELL and SYMMETRY data.
|
| GeomHbond |
Data items in the GEOM_HBOND category record details about
hydrogen bonds as calculated from the contents of the ATOM,
CELL and SYMMETRY data.
|
| GeomTorsion |
Data items in the GEOM_TORSION category record details about
torsion angles as calculated from the
contents of the ATOM, CELL and SYMMETRY data.
|
| Ihm2demClassAverageFitting |
Data items in the IHM_2DEM_CLASS_AVERAGE_FITTING category records the
details of the fitting of the model to the 2DEM class averages
used in the IHM modeling.
|
| Ihm2demClassAverageRestraint |
Data items in the IHM_2DEM_CLASS_AVERAGE_RESTRAINT category records the
details of the 2DEM class averages used in the IHM modeling.
|
| Ihm3demRestraint |
Data items in the IHM_3DEM_RESTRAINT category records the
details of the 3DEM maps used as restraints in the
IHM modeling.
|
| IhmCrossLinkList |
Data items in the IHM_CROSS_LINK_LIST category records the
list of spatial restraints derived from chemical crosslinking
experiment.
|
| IhmCrossLinkRestraint |
Data items in the IHM_CROSS_LINK_RESTRAINT category enumerates the
implementation details of the chemical crosslinking restraints in
the integrative modeling.
|
| IhmCrossLinkResult |
Data items in the IHM_CROSS_LINK_RESULT category records the
results of the crosslinking restraints in the IHM modeling.
|
| IhmCrossLinkResultParameters |
Data items in the IHM_CROSS_LINK_RESULT_PARAMETERS category records the
results of the crosslinking restraint parameters in the IHM modeling.
|
| IhmDatasetExternalReference |
Category provides additional details regarding input data hosted externally
at other resources.
|
| IhmDatasetGroup |
Category provides a mechanism to group datasets.
|
| IhmDatasetList |
Category holds the list of all datasets used in the IHM modeling.
|
| IhmDatasetRelatedDbReference |
Category holds information related to data sources for the entry.
|
| IhmDerivedDistanceRestraint |
Data items in the IHM_DERIVED_DISTANCE_RESTRAINT category records the
list of distance restraints used in the integrative modeling experiment.
|
| IhmEnsembleInfo |
Data items in the IHM_ENSEMBLE_INFO category records the
details of the model clusters or ensembles obtained after
sampling.
|
| IhmExternalFiles |
Category provides details regarding external files.
|
| IhmExternalReferenceInfo |
Category holds links to other external data sources for the I/H model entry.
|
| IhmFeatureList |
IHM_FEATURE_LIST is the high level category that provides defintions
to select atoms/residues from polymeric and non-polymeric entities.
|
| IhmGaussianObjEnsemble |
Data items in the IHM_GAUSSIAN_OBJ_ENSEMBLE category records the details
of the gaussian objects representing an ensemble or cluster of models.
|
| IhmGaussianObjSite |
Data items in the IHM_GAUSSIAN_OBJ_SITE category records the details
of the gaussian objects modeled in the integrative structural model.
|
| IhmGeometricObjectAxis |
Data items in the IHM_GEOMETRIC_OBJECT_AXIS category records the details of
an axis used in a spatial restraint.
|
| IhmGeometricObjectCenter |
Data items in the IHM_GEOMETRIC_OBJECT_CENTER category records the center of
geometric objects used as restraints in the integrative modeling study.
|
| IhmGeometricObjectDistanceRestraint |
Data items in the IHM_GEOMETRIC_OBJECT_DISTANCE_RESTRAINT category records the
details of distance restraints involving geometric objects.
|
| IhmGeometricObjectHalfTorus |
Data items in the IHM_GEOMETRIC_OBJECT_HALF_TORUS category records the parameters of
half-torus that represents a membrane.
|
| IhmGeometricObjectList |
Data items in the IHM_GEOMETRIC_OBJECT_LIST category records the list of
geometric objects used as restraints in the integrative modeling study.
|
| IhmGeometricObjectPlane |
Data items in the IHM_GEOMETRIC_OBJECT_PLANE category records the details of
a plane used in a spatial restraint.
|
| IhmGeometricObjectSphere |
Data items in the IHM_GEOMETRIC_OBJECT_SPHERE category records the parameters of
a sphere.
|
| IhmGeometricObjectTorus |
Data items in the IHM_GEOMETRIC_OBJECT_TORUS category records the parameters of
a torus.
|
| IhmGeometricObjectTransformation |
Data items in the IHM_GEOMETRIC_OBJECT_TRANSFORMATION category records the
details of the rotation matrix and translation vector applied for transforming
the geometric object.
|
| IhmHydroxylRadicalFpRestraint |
Data items in the IHM_HYDROXYL_RADICAL_FP_RESTRAINT category records the
restraints derived from hydroxyl radical footprinting experiment.
|
| IhmInterfaceResidueFeature |
Data items in the IHM_INTERFACE_RESIDUE_FEATURE category captures the
details of residues that are identified to be at the binding interface
from experiments.
|
| IhmLocalizationDensityFiles |
Data items in the IHM_LOCALIZATION_DENSITY_FILES category records the
details of files that provide information regarding localization densities
of ensembles.
|
| IhmModelingPostProcess |
Data items in the IHM_MODELING_POST_PROCESS category records
the details of the post processing of the models/results of
the modeling protocol.
|
| IhmModelingProtocol |
Data items in the IHM_MODELING_PROTOCOL category records the
step-wise details of the integrative modeling workflow.
|
| IhmModelList |
Data items in the IHM_MODEL_LIST category record the
details of the models being deposited.
|
| IhmModelRepresentation |
Data items in the IHM_MODEL_REPRESENTATION category records the
details about the architecture and representation of structural
models created by the integrative model building tasks.
|
| IhmModelRepresentative |
Data items in the IHM_MODEL_REPRESENTATIVE category record the
details of the representative model in an ensemble or cluster.
|
| IhmMultiStateModeling |
Data items in the IHM_MULTI_STATE_MODELING category records the
details of the multi-state modeling protocol, if applicable.
|
| IhmNonPolyFeature |
Data items in the IHM_NON_POLY_FEATURE category provides the defintions
required to select a non-polymeric (ligand) feature.
|
| IhmOrderedEnsemble |
Data items in the IHM_ORDERED_ENSEMBLE category records the
details of the ensembles ordered by time or other order.
|
| IhmPolyAtomFeature |
Data items in the IHM_POLY_ATOM_FEATURE category provides the defintions
required to select specific atoms.
|
| IhmPolyResidueFeature |
Data items in the IHM_POLY_RESIDUE_FEATURE category provides the defintions
required to select a specific residue or a set of residues that may or may not be
in a contiguous range.
|
| IhmPredictedContactRestraint |
Data items in the IHM_PREDICTED_CONTACT_RESTRAINT category records the
list of predicted contacts used in the integrative modeling experiment.
|
| IhmPseudoSiteFeature |
Data items in the IHM_PSEUDO_SITE_FEATURE category records the details
of pseudo positions for the features listed in IHM_FEATURE_LIST.
|
| IhmRelatedDatasets |
Category holds information about related datasets, where one is derived from the other.
|
| IhmResiduesNotModeled |
Data items in the IHM_RESIDUES_NOT_MODELED category record the
details of the residues that are defined in the
IHM_STRUCT_ASSEMBLY category but are missing in the
three-dimensional model (ATOM_SITE, IHM_SPHERE_OBJ_SITE,
IHM_GAUSSIAN_OBJ_SITE categories) i.e., residues in the
assembly that are not modeled.
|
| IhmSasRestraint |
Data items in the IHM_SAS_RESTRAINT category records the
details of the SAS data used as restraints in the
IHM modeling.
|
| IhmSphereObjSite |
Data items in the IHM_SPHERE_OBJ_SITE category records the details
of the spherical objects modeled in the integrative structural model.
|
| IhmStartingComparativeModels |
Data items in the IHM_STARTING_COMPARATIVE_MODELS category records
additional details about comparative models used as starting inputs in
the integrative model building process.
|
| IhmStartingComputationalModels |
Data items in the IHM_STARTING_COMPUTATIONAL_MODELS category records
additional details about computational models used as starting inputs in
the integrative model building process.
|
| IhmStartingModelCoord |
Data items in the IHM_STARTING_MODEL_COORD category records the coordinates
for structural templates used as starting inputs in the integrative model
building tasks.
|
| IhmStartingModelDetails |
Data items in the IHM_STARTING_MODEL_DETAILS category records the
details about structural models used as starting inputs in
the integrative model building process.
|
| IhmStartingModelSeqDif |
Data items in the IHM_STARTING_MODEL_SEQ_DIF category provide a
mechanism for indicating and annotating point differences
between the sequence of the entity or biological unit described
in the data block and the sequence of the starting model used in
the integrative modeling referenced from a database.
|
| IhmStructAssembly |
Data items in the IHM_STRUCT_ASSEMBLY category records the
details of the structural assemblies and used in the
IHM modeling.
|
| IhmStructAssemblyClass |
Data items in the IHM_STRUCT_ASSEMBLY_CLASS category provides
details regarding the structural assembly classes.
|
| IhmStructAssemblyClassList |
Data items in the IHM_STRUCT_ASSEMBLY_CLASS_LIST category lists
all the structural assembly classes relevant to the entry.
|
| IhmStructAssemblyDetails |
Data items in the IHM_STRUCT_ASSEMBLY_DETAILS category provides
additional details regarding the structure assembly.
|
| Journal |
Data items in the JOURNAL category record details about the
book-keeping by the journal staff when processing
a data block submitted for publication.
|
| JournalIndex |
Data items in the JOURNAL_INDEX category are used to list terms
used to generate the journal indexes.
|
| NdbOriginalNdbCoordinates |
Placeholder category for PDB coordinate data.
|
| NdbStructConfNa |
Data items in the NDB_STRUCT_CONF_NA category
describes secondary structure features in this entry.
|
| NdbStructFeatureNa |
Data items in the NDB_STRUCT_FEATURE_NA category
describes tertiary and other special structural
features in this entry.
|
| NdbStructNaBasePair |
Data items in the NDB_STRUCT_NA_BASE_PAIR category record details
of base pairing interactions.
|
| NdbStructNaBasePairStep |
Data items in the NDB_STRUCT_NA_BASE_PAIR_STEP category record details
of base pair step interactions.
|
| PdbxAtlas |
Gives information about the organization of the
NDB Structural Atlas.
|
| PdbxAtomSiteAnisoTls |
Data items in the PDBX_ATOM_SITE_ANISO_TLS category record details
about the TLS contribution to anisotropic displacement parameters.
|
| PdbxAudit |
The PDBX_AUDIT holds current version information.
|
| PdbxAuditAuthor |
Data items in the PDBX_AUDIT_AUTHOR category record details about
the author(s) of the data block.
|
| PdbxAuditConformExtension |
Data items in the PDBX_AUDIT_CONFORM_EXTENSION category describe
extension dictionary versions against which the data names appearing
the current data block are conformant.
|
| PdbxAuditRevisionCategory |
Data items in the PDBX_AUDIT_REVISION_CATEGORY category
report the data categories associated with a PDBX_AUDIT_REVISION_HISTORY record.
|
| PdbxAuditRevisionDetails |
Data items in the PDBX_audit_revision_details category
record descriptions of changes associated with
PDBX_AUDIT_REVISION_HISTORY records.
|
| PdbxAuditRevisionGroup |
Data items in the PDBX_AUDIT_revision_group category
report the content groups associated with a PDBX_AUDIT_REVISION_HISTORY
record.
|
| PdbxAuditRevisionHistory |
Data items in the PDBX_AUDIT_REVISION_HISTORY category record
the revision history for a data entry.
|
| PdbxAuditRevisionItem |
Data items in the PDBX_AUDIT_REVISION_ITEM category
report the data items associated with a PDBX_AUDIT_REVISION_HISTORY record.
|
| PdbxAuditSupport |
Data items in the PDBX_AUDIT_SUPPORT category record details about
funding support for the entry.
|
| PdbxBondDistanceLimits |
This category provides a table of upper and lower distance
limits used as criteria in determining covalent bonds.
|
| PdbxBranchScheme |
The PDBX_BRANCH_SCHEME category provides residue level nomenclature
mapping for branch chain entities.
|
| PdbxBuffer |
Data items in the PDBX_BUFFER category
record details of the sample buffer.
|
| PdbxBufferComponents |
Constituents of buffer in sample
|
| PdbxChemCompAtomEdit |
Data items in the PDBX_CHEM_COMP_ATOM_EDIT category provide
atom level editing instructions to be applied to imported
chemical components.
|
| PdbxChemCompAtomFeature |
Data items in the PDBX_CHEM_COMP_ATOM_FEATURE category provide
a selected list of atom level features for the chemical component.
|
| PdbxChemCompAtomRelated |
PDBX_CHEM_COMP_ATOM_RELATED provides atom level nomenclature mapping between two related chemical components.
|
| PdbxChemCompAudit |
Data items in the PDBX_CHEM_COMP_AUDIT category records
the status and tracking information for this component.
|
| PdbxChemCompBondEdit |
Data items in the PDBX_CHEM_COMP_BOND_EDIT category provide
bond level editing instructions to be applied to imported
chemical components.
|
| PdbxChemCompDepositorInfo |
Data items in the PDBX_CHEM_COMP_DEPOSITOR_INFO category record additional
details provided by depositors about deposited chemical components.
|
| PdbxChemCompDescriptor |
Data items in the CHEM_COMP_DESCRIPTOR category provide
string descriptors of component chemical structure.
|
| PdbxChemCompFeature |
Additional features associated with the chemical component.
|
| PdbxChemCompIdentifier |
Data items in the CHEM_COMP_IDENTIFIER category provide
identifiers for chemical components.
|
| PdbxChemCompImport |
Data items in the PDBX_CHEM_COMP_IMPORT category identify
existing chemical components to be imported into the
current component definition.
|
| PdbxChemCompInstanceDepositorInfo |
Data items in the PDBX_CHEM_COMP_INSTANCE_DEPOSITOR_INFO category records
depositor provided information about the chemical context of component instances.
|
| PdbxChemCompModel |
Data items in the PDBX_CHEM_COMP_MODEL category give details about each
of the chemical component model instances.
|
| PdbxChemCompModelAtom |
Data items in the PDBX_CHEM_COMP_MODEL_ATOM category record coordinates
for the chemical component model instance.
|
| PdbxChemCompModelAudit |
Data items in the PDBX_CHEM_COMP_MODEL_AUDIT category records
the status and tracking information for this component model instance.
|
| PdbxChemCompModelBond |
Data items in the PDBX_CHEM_COMP_MODEL_BOND category record details about
the bonds between atoms in a chemical component model instance.
|
| PdbxChemCompModelDescriptor |
Data items in the CHEM_COMP_MODEL_DESCRIPTOR category provide
string descriptors for component model structures.
|
| PdbxChemCompModelFeature |
Additional features associated with the chemical component.
|
| PdbxChemCompModelReference |
Additional features associated with the chemical component.
|
| PdbxChemCompNonstandard |
Data items in the PDBX_CHEM_COMP_NONSTANDARD category describes
common nucleotide modifications and nonstandard features.
|
| PdbxChemCompRelated |
PDBX_CHEM_COMP_RELATED describes the relationship between two chemical components.
|
| PdbxChemCompSubcomponentEntityList |
Data items in the pdbx_chem_comp_subcomponent_entity_list category
list the constituent chemical entities and entity features in this chemical component.
|
| PdbxChemCompSubcomponentStructConn |
Data items in the pdbx_chem_comp_subcomponent_struct_conn
list the chemical interactions among the subcomponents in
the chemical component.
|
| PdbxChemCompSynonyms |
PDBX_CHEM_COMP_SYNONYMS holds chemical name and synonym correspondences.
|
| PdbxChemCompUploadDepositorInfo |
Data items in the PDBX_CHEM_COMP_UPLOAD_DEPOSITOR_INFO category record
details of the uploaded files related to depositor provided chemical assignments.
|
| PdbxColumninfo |
|
| PdbxConnect |
Local data items describing ligand and monomer
chemical features.
|
| PdbxConnectAtom |
Local data items describing ligand and monomer
atom names and connectivity.
|
| PdbxConnectModification |
Local data items describing ligand and monomer
modifications.
|
| PdbxConnectType |
Local data items describing ligand and monomer
type information.
|
| PdbxConstruct |
Data items in the PDBX_CONSTRUCT category specify a sequence of
nucleic acids or amino acids.
|
| PdbxConstructFeature |
Data items in the PDBX_CONSTRUCT_FEATURE category may be used to
specify various properties of a nucleic acid sequence used during
protein production.
|
| PdbxContactAuthor |
Data items in the PDBX_CONTACT_AUTHOR category record details
about the name and address of the author to be contacted
concerning the contents of this data block.
|
| PdbxCoord |
Gives information about what kind of coordinates are available.
|
| PdbxCoordinateModel |
The details of the composition of the coordinate model.
|
| PdbxCrystalAlignment |
Data in the PDBX_CRYSTAL_ALIGNMENT are produced by log files from
programs during indexing
|
| PdbxDatabaseMessage |
The PDBX_DATABASE_MESSAGE category provides information about
correspondance related to a structure deposition.
|
| PdbxDatabasePDBMaster |
The PDBX_DATABASE_PDB_MASTER category provides placeholders
for the count of various PDB record types.
|
| PdbxDatabasePDBObsSpr |
The PDBX_DATABASE_PDB_OBS_SPR category provides placeholders
for information on obsolete/superseded PDB entries
|
| PdbxDatabasePdbOmit |
Data items in the PDBX_DATABASE_PDB_OMIT category record
list PDB record names that should be omitted in the PDB
format file.
|
| PdbxDatabaseProc |
Internal records to track the data processing cycle.
|
| PdbxDatabaseRelated |
Data items in PDBX_DATABASE_RELATED contain references to entries
that are related to the this entry.
|
| PdbxDatabaseRemark |
Data items in the PDBX_DATABASE_REMARK category record keep additional
information about the entry.
|
| PdbxDatabaseStatus |
These are internal RCSB records to keep track of data processing
and status of the entry.
|
| PdbxDatabaseStatusHistory |
The pdbx_database_status_history category records the time evolution of entry
processing status.
|
| PdbxDataProcessingCell |
Crystallographic cell specifications used in data processing.
|
| PdbxDataProcessingDetector |
Details of the detector used at data collection site.
|
| PdbxDataProcessingReflns |
Details of reflections used in data processing.
|
| PdbxDataProcessingStatus |
Data items in the PDBX_DATA_PROCESSING_STATUS category record
data processing instructions for workflow processing tasks.
|
| PdbxDbref |
These records are used in the DBREF record of a PDB file and
are used as place holders for NDB ID's in PDB files.
|
| PdbxDccDensity |
Data items in the category record various overall metrics
calculated by DCC and various wrapped programs (such as Xtriage,
pointless, REFMAC ...).
|
| PdbxDccDensityCorr |
Data items in the category record calculated metrics from various
programs (such as phenix, refmac, cns, sfcheck).
|
| PdbxDccGeometry |
Data items in the category record the overall deviations about
geometry (such as bond length, angle, dihedral, chirality,
planarity).
|
| PdbxDccMap |
Data items in the category record residual map properties such as
Real Space electron density Correlation Coefficient (RSCC), real space R
factors (RSR) and the Zscores for each residue, the main/side chains.
|
| PdbxDccMapman |
Data items in the category record details from the output of mapman
used by the DCC program.
|
| PdbxDccRsccMapman |
Data items in this category record residual map properties such as
correlation, real space Rfactors and the Zscore calculated from
refmac and mapman.
|
| PdbxDccRsccMapmanOverall |
Data items in the category record overall map properties such
as correlation, real space Rfactors and the Zscore calculated
from refmac and mapman.
|
| PdbxDepositGroup |
Data items in the pdbx_deposit_group category provide identifiers
and related information for groups of entries deposited in a collection.
|
| PdbxDepositGroupIndex |
Data items in the pdbx_deposit_group_index category provides details
about the individual data files in the collection of deposited entries.
|
| PdbxDepositionMessageFileReference |
Data items in the PDBX_DEPOSITION_MESSAGE_FILE_REFERENCE category record details of
files references associated with messages defined in the PDBX_DEPOSITION_MESSAGE_INFO
data category.
|
| PdbxDepositionMessageInfo |
Data items in the PDBX_DEPOSITION_MESSAGE_INFO category record internal messages
within the depositon and annotation system.
|
| PdbxDepuiEntityFeatures |
Data items in the PDBX_DEPUI_ENTITY_FEATURES category record status
details related to the features of individual entities.
|
| PdbxDepuiEntityStatusFlags |
Data items in the PDBX_DEPUI_ENTITY_STATUS_FLAGS category record status
details related to individual entities.
|
| PdbxDepuiEntryDetails |
Data items in the PDBX_DEPUI_ENTRY_DETAILS category record
information required to identify the depositor and route
deposition to an appropriate processing site.
|
| PdbxDepuiStatusFlags |
Data items in the PDBX_DEPUI_STATUS_FLAGS category record status
details used to maintain state within the wwPDB deposition system.
|
| PdbxDepuiUpload |
Data items in the PDBX_DEPUI_UPLOAD category record the
details of uploaded data files.
|
| PdbxDepuiValidationStatusFlags |
Data items in the PDBX_DEPUI_VALIDATION_STATUS_FLAGS category record status
details that assess the status of selected validation diagnostics.
|
| PdbxDiffrnReflnsShell |
Data items in the DIFFRN_REFLNS_SHELL category record details about
the reflection data set within shells of resolution.
|
| PdbxDistantSolventAtoms |
Data items in the PDBX_DISTANT_SOLVENT_ATOMS category list the
solvent atoms remote from any macromolecule.
|
| PdbxDomain |
Data items in the PDBX_DOMAIN category record information
about domain definitions.
|
| PdbxDomainRange |
Data items in the PDBX_DOMAIN_RANGE category identify the
beginning and ending points of polypeptide chain segments
that form all or part of a domain.
|
| PdbxDrugInfo |
Data items in the PDBX_DRUG_INFO category are still used until
the 'entity' categories are entered into the database, even
though the information is repeated.
|
| PdbxEntityAssembly |
The PDBX_ENTITY_ASSEMBLY category provides a chemical description
of the biological assembly studied in terms of its constituent
entities.
|
| PdbxEntityBranch |
Data items in the PDBX_ENTITY_BRANCH category specify the list
of branched entities and the type.
|
| PdbxEntityBranchLink |
Data items in the PDBX_ENTITY_BRANCH_LINK category give details about
the linkages between components within a branched entity.
|
| PdbxEntityBranchList |
Data items in the PDBX_ENTITY_BRANCH_LIST category specify the list
of monomers in a branched entity.
|
| PdbxEntityDescriptor |
Data items in the PDBX_ENTITY_DESCRIPTOR category provide
string descriptors of entity chemical structure.
|
| PdbxEntityFuncBindMode |
Data items in the PDBX_ENTITY_FUNC_BIND_MODE category describe
characteristics of protein oligonucleotide binding.
|
| PdbxEntityFuncEnzyme |
Data items in the PDBX_ENTITY_FUNC_ENZYME category describe
characteristics of protein oligonucleotide binding in which
the binding mode is enzymatic.
|
| PdbxEntityFuncOther |
Data items in the PDBX_ENTITY_FUNC_OTHER category describe
characteristics of protein oligonucleotide binding in which
the binding mode is not classified.
|
| PdbxEntityFuncRegulatory |
Data items in the PDBX_ENTITY_FUNC_REGULATORY category describe
characteristics of protein oligonucleotide binding in which
the binding mode is regulatory.
|
| PdbxEntityFuncStructural |
Data items in the PDBX_ENTITY_FUNC_STRUCTURAL category describe
characteristics of protein oligonucleotide binding in which
the binding mode is structural.
|
| PdbxEntityInstanceFeature |
Data items in the pdbx_entity_instance_feature category records
special features of selected entity instances.
|
| PdbxEntityName |
The PDBX_ENTITY_NAME records additional name information for
each entity.
|
| PdbxEntityNameInstance |
Data items in the PDBX_ENTITY_NAME_INSTANCE category
list names used to define entities with their
associated database, entity, chain, and molecule
identifiers.
|
| PdbxEntityNameTaxonomy |
Data items in the PDBX_ENTITY_NAME_TAXONOMY category
define the names and synonyms of the entity name taxonomy.
|
| PdbxEntityNameTaxonomyTree |
Data items in the PDBX_ENTITY_NAME_TAXONOMY_TREE category
define the tree structure of the entity name taxonomy.
|
| PdbxEntityNonpoly |
|
| PdbxEntityPolyCompLinkList |
Data items in the PDBX_ENTITY_POLY_COMP_LINK_LIST category enumerate the
the linkages between components within the polymer entity.
|
| PdbxEntityPolyDomain |
Data items in the PDBX_ENTITY_POLY_DOMAIN category specify domains
of monomers within a polymer.
|
| PdbxEntityPolyNaNonstandard |
Data items in the PDBX_ENTITY_POLY_NA_NONSTANDARD category
describe the nonstandard features of the nucleic acid polymer entities.
|
| PdbxEntityPolyNaType |
Data items in the PDBX_ENTITY_POLY_NA_TYPE category describe
type of nucleic acid polymer entities.
|
| PdbxEntityPolyProteinClass |
Data items in the PDBX_ENTITY_POLY_PROTEIN_CLASS category
provides a top-level protein classification.
|
| PdbxEntityProdProtocol |
This category contains descriptive protocols for the production
of this entity.
|
| PdbxEntitySrcGenCharacter |
This category contains details of protein characterisation.
|
| PdbxEntitySrcGenChrom |
This category contains details for the chromatographic steps used in the
purification of the protein.
|
| PdbxEntitySrcGenClone |
This category contains details for the cloning steps used in
the overall protein production process.
|
| PdbxEntitySrcGenCloneLigation |
This category contains details for the ligation-based cloning steps used in
the overall protein production process.
|
| PdbxEntitySrcGenCloneRecombination |
This category contains details for the recombination-based cloning steps
used in the overall protein production process.
|
| PdbxEntitySrcGenDepositorInfo |
Data items in the PDBX_ENTITY_SRC_GEN_DEPOSITOR_INFO category record details of
the source from which the entity was obtained in cases
where the source was genetically manipulated.
|
| PdbxEntitySrcGenExpress |
This category contains details for the EXPRESSION steps used in
the overall protein production process.
|
| PdbxEntitySrcGenExpressTimepoint |
This category contains details for OD time series used to monitor a
given EXPRESSION step used in the overall protein production process.
|
| PdbxEntitySrcGenFract |
This category contains details for the fraction steps used in
the overall protein production process.
|
| PdbxEntitySrcGenLysis |
This category contains details for the cell lysis steps used in
the overall protein production process.
|
| PdbxEntitySrcGenProdDigest |
This category contains details for the DIGEST steps used in
the overall protein production process.
|
| PdbxEntitySrcGenProdOther |
This category contains details for process steps that are
not explicitly catered for elsewhere.
|
| PdbxEntitySrcGenProdOtherParameter |
This category contains parameters and values required to capture
information about a particular process step
|
| PdbxEntitySrcGenProdPcr |
This category contains details for the PCR steps used in
the overall protein production process.
|
| PdbxEntitySrcGenProteolysis |
This category contains details for the protein purification
tag removal steps used in the overall protein production process
|
| PdbxEntitySrcGenPure |
This category contains details for the final purified protein product.
|
| PdbxEntitySrcGenRefold |
This category contains details for the refolding steps used in
the overall protein production process.
|
| PdbxEntitySrcSyn |
The data items in category PDBX_ENTITY_SRC_SYN record the source details
about chemically synthesized molecules.
|
| PdbxEntryDetails |
Data items in the PDBX_ENTRY_DETAILS category provide additional
details about this entry.
|
| PdbxExptlCrystalCryoTreatment |
Data items in the PDBX_EXPTL_CRYSTAL_CRYO_TREATMENT category
record details cryogenic treatments applied to this crystal.
|
| PdbxExptlCrystalGrowComp |
Data items in the PDBX_EXPTL_CRYSTAL_GROW_COMP category record
details about the components of the solutions that were 'mixed'
to produce the crystal.
|
| PdbxExptlCrystalGrowSol |
Data items in the PDBX_EXPTL_CRYSTAL_GROW_SOL category record
details about the solutions that were 'mixed'
to produce the crystal.
|
| PdbxExptlPd |
Data items in the pdbx_exptl_pd record information about
powder sample preparations.
|
| PdbxFamilyGroupIndex |
Data items in the PDBX_FAMILY_GROUP_INDEX category record
the family membership in family groups.
|
| PdbxFamilyPrdAudit |
Data items in the PDBX_FAMILY_PRD_AUDIT category records
the status and tracking information for this family.
|
| PdbxFeatureAssembly |
Data items in the PDBX_FEATURE_ASSEMBLY category records
information about properties pertaining to this
structural assembly.
|
| PdbxFeatureDomain |
Data items in the PDBX_FEATURE_DOMAIN category records
information about properties pertaining to this structure
domain.
|
| PdbxFeatureEntry |
Data items in the PDBX_FEATURE_ENTRY category records
information about properties pertaining to this
structure entry.
|
| PdbxFeatureMonomer |
Data items in the PDBX_FEATURE_MONOMER category records
information about properties pertaining to particular
monomers in this structure.
|
| PdbxFeatureSequenceRange |
Data items in the PDBX_FEATURE_SEQUENCE_RANGE category
records information about properties pertaining to
this structure sequence_range.
|
| PdbxHelicalSymmetry |
Data items in the PDBX_HELICAL_SYMMETRY category record details about the
helical symmetry group associated with this entry.
|
| PdbxHelicalSymmetryDepositorInfo |
Data items in the PDBX_HELICAL_SYMMETRY_DEPOSITOR_INFO category capture
depositor provided information related to the archival cateogory
PDBX_HELICAL_SYMMETRY.
|
| PdbxHybrid |
Data items in the PDBX_HYBRID category are used to describe the chimeric
characteristics of a DNA/RNA structure.
|
| PdbxInhibitorInfo |
Data items in the PDBX_INHIBITOR_INFO category are still used until
the 'entity' categories are entered into the database, even though the
inhibitor is repeated.
|
| PdbxIonInfo |
Data items in the PDBX_ION_INFO category are still used until
the 'entity' categories are entered into the database, even though the
information is repeated.
|
| PdbxLinkedEntity |
Data items in the PDBX_LINKED_ENTITY category record
information about molecules composed of linked entities.
|
| PdbxLinkedEntityInstanceList |
Data items in the PDBX_LINKED_ENTITY_INSTANCE_LIST category identify instance
molecules represented as linked entities within an entry.
|
| PdbxLinkedEntityLinkList |
Data items in the PDBX_LINKED_ENTITY_LINK_LIST category give details about
the linkages with molecules represented as linked entities.
|
| PdbxLinkedEntityList |
Data items in the PDBX_LINKED_ENTITY_LIST category record
the list of entity constituents for this molecule.
|
| PdbxMissingAtomNonpoly |
Data items in the PDBX_MISSING_ATOM_NONPOLY category list the
atoms missing in nonpolymer residues.
|
| PdbxMissingAtomPoly |
Data items in the PDBX_MISSING_ATOM_POLY category lists
atoms missing in polymer residues.
|
| PdbxMissingResidueList |
Provides a place-holder for PDB REMARK 465 data.
|
| PdbxMolecule |
Data items in the PDBX_MOLECULE category identify reference molecules
within a PDB entry.
|
| PdbxMoleculeFeatures |
Data items in the PDBX_MOLECULE_FEATURES category record features of molecules
within a PDB entry.
|
| PdbxMoleculeFeaturesDepositorInfo |
Data items in the PDBX_MOLECULE_FEATURES_DEPOSITOR_INFO category capture
depositor provided information related to the archival cateogory
PDBX_MOLECULE_FEATURES.
|
| PdbxNaStrandInfo |
Data items in the PDBX_NA_STRAND_INFO category are still used until
the 'entity' categories are entered into the database, even though
the information is repeated.
|
| PdbxNaStructKeywds |
Data items in the PDBX_NA_STRUCT_KEYWDS category record give details
about structural features of the NA.
|
| PdbxNmrAssignedChemShiftList |
Items in the assigned_chem_shift_list category provide information about a list of reported assigned chemical shift values.
|
| PdbxNmrChemShiftExperiment |
Items in the chem_shift_experiment category provide pointers to the NMR experiments and samples used to collect the data for a set of reported assigned chemical shifts.
|
| PdbxNmrChemShiftRef |
Items in the pdbx_nmr_chem_shift_ref category provide the chemical shift referencing values used in assigning the chemical shift positions for peaks in spectral peak lists and assigned atom chemical shifts.
|
| PdbxNmrChemShiftReference |
Items in the chem_shift_reference category define a set of chemical shift referencing parameters.
|
| PdbxNmrChemShiftSoftware |
Items in the chem_shift_software category provide pointers to the software category and methods category.
|
| PdbxNmrComputing |
The table in this section is used to describe the software
that was used for data collection, data processing, data analysis,
structure calculations and refinement.
|
| PdbxNmrConstraintFile |
Items in the pdbx_nmr_constraint_file category record the name of the constraint file, the software used
to calculate conformers with the constraint file, and the characteristics of the constraints in the constraint file.
|
| PdbxNmrConstraints |
This section provides a tabulation of constraint data.
|
| PdbxNmrDetails |
Experimental details of the NMR study that have not been
described elsewhere in this deposition.
|
| PdbxNmrEnsemble |
This category contains the information that describes the
ensemble of deposited structures.
|
| PdbxNmrEnsembleRms |
Structural statistics are derived from molecular dynamics and simulated annealing
programs.
|
| PdbxNmrExptl |
In this section, enter information on those experiments that were
used to generate constraint data.
|
| PdbxNmrExptlSample |
The chemical constituents of
each NMR sample.
|
| PdbxNmrExptlSampleConditions |
The experimental conditions used to for each sample.
|
| PdbxNmrForceConstants |
The final force constants, including units, employed for the various
experimental constraints, covalent geometry constraints, and the non-bonded
interaction terms in the target function used for simulated annealing.
|
| PdbxNmrRefine |
Describe the method and details of the refinement of the deposited structure.
|
| PdbxNmrRepresentative |
An average structure is often calculated in addition to the ensemble, or one
of the ensemble is selected as a representative structure.
|
| PdbxNmrSampleDetails |
Complete description of each NMR sample, including the solvent
system used.
|
| PdbxNmrSoftware |
Description of the software that was used for data collection, data processing,
data analysis, structure calculations and refinement.
|
| PdbxNmrSoftwareTask |
Items in the pdbx_nmr_software_task category provide information about software workflow in the NMR experiment.
|
| PdbxNmrSpectralDim |
Items in the spectral_dim category describe the parameters of each dimension in the NMR experiment used to generate the spectral peak list.
|
| PdbxNmrSpectralPeakList |
Items in the pdbx_nmr_spectral_peak_list category provide information about a list of reported spectral peak characteristic values.
|
| PdbxNmrSpectralPeakSoftware |
Items in the pdbx_nmr_spectral_peak_software category provide pointers to the software category
and methods category where descriptions of software applications and methods can be found.
|
| PdbxNmrSpectrometer |
The details about each spectrometer used to collect data for this
deposition.
|
| PdbxNmrSystematicChemShiftOffset |
Items in the pdbx_nmr_systematic_chem_shift_offset category define chemical shift offsets that systematically affect all chemical shifts in a set of assigned chemical shifts for a specific nuclei.
|
| PdbxNmrUpload |
Items in the pdbx_nmr_upload category provide information about the data files uploaded by a depositor using the deposition system.
|
| PdbxNonpolyScheme |
The PDBX_NONPOLY_SCHEME category provides residue level nomenclature
mapping for non-polymer entities.
|
| PdbxNonstandardList |
The information in this category is exclusively used to store
the HET records of a PDB file.
|
| PdbxPdbCompnd |
This is a place holder for the PDB COMPND.
|
| PdbxPdbSource |
This is a place holder for the PDB SOURCE.
|
| PdbxPhasingDm |
Data items in the PDBX_PHASING_DM category record details about
density modification
|
| PdbxPhasingDmShell |
Data items in the PDBX_PHASING_DM_SHELL category record details about
density modification in resolution shell.
|
| PdbxPhasingMADSet |
Record details about each phasing set: (Note: the phasing
set is different from data set.
|
| PdbxPhasingMADSetShell |
The same as category pdbx_phasing_MAD_set, but
broken into shells.
|
| PdbxPhasingMADSetSite |
record the details (coordinates etc.) of anomalous scatters.
|
| PdbxPhasingMADShell |
Data items in the PDBX_PHASING_MAD_SHELL category record details about
the phasing of the structure, when methods involving multiple
anomalous dispersion techniques are involved (note: the
values are overall, but broken down into shells of resolution)
|
| PdbxPhasingMR |
Data items in the PDBX_PHASING_MR category record details about
molecular replacement.
|
| PdbxPointSymmetry |
Data items in the PDBX_POINT_SYMMETRY category record details about the
point symmetry group associated with this entry.
|
| PdbxPointSymmetryDepositorInfo |
Data items in the PDBX_POINT_SYMMETRY_DEPOSITOR_INFO category capture
depositor provided information related to the archival cateogory
PDBX_POINT_SYMMETRY.
|
| PdbxPolySeqScheme |
The PDBX_POLY_SEQ_SCHEME category provides residue level nomenclature
mapping for polymer entities.
|
| PdbxPostProcessDetails |
Data items in the PDBX_POST_PROCESS_DETAILS identify
problems or errors encountered in the post-processing
of this entry.
|
| PdbxPostProcessStatus |
Data items in the PDBX_POST_PROCESS_DETAILS record
the status of post-processed entries.
|
| PdbxPrdAudit |
Data items in the PDBX_PRD_AUDIT category records
the status and tracking information for this molecule.
|
| PdbxPrereleaseSeq |
This category provides a placeholder for pre-release
sequence information.
|
| PdbxProteinInfo |
Data items in the PDBX_PROTEIN_INFO category are still used until
the 'entity' categories are entered into the database, even though the
information is repeated.
|
| PdbxReferenceEntityLink |
Data items in the PDBX_REFERENCE_ENTITY_LINK category give details about
the linkages between entities within reference molecules.
|
| PdbxReferenceEntityList |
Data items in the PDBX_REFERENCE_ENTITY_LIST category record
the list of entities within each reference molecule.
|
| PdbxReferenceEntityNonpoly |
Data items in the PDBX_REFERENCE_ENTITY_NONPOLY category record
the list of entities within each reference molecule.
|
| PdbxReferenceEntityPoly |
Data items in the PDBX_REFERENCE_ENTITY_POLY category record details about
the polymer, such as the type of the polymer, the number of
monomers and whether it has nonstandard features.
|
| PdbxReferenceEntityPolyLink |
Data items in the PDBX_REFERENCE_ENTITY_POLY_LINK category give details about
polymer linkages including both standard and non-standard linkages between
polymer componnents.
|
| PdbxReferenceEntityPolySeq |
Data items in the PDBX_REFERENCE_ENTITY_POLY_SEQ category specify the sequence
of monomers in a polymer.
|
| PdbxReferenceEntitySequence |
Additional features associated with the reference entity.
|
| PdbxReferenceEntitySrcNat |
Data items in the PDBX_REFERENCE_ENTITY_SRC_NAT category record
details of the source from which the entity was obtained.
|
| PdbxReferenceEntitySubcomponents |
Data items in the PDBX_REFERENCE_ENTITY_SUBCOMPONENTS category records
subcomponent sequence from which this entity could be built.
|
| PdbxReferenceLinkedEntity |
Data items in the pdbx_reference_linked_entity category describe
common observed interaction patterns within linked entities.
|
| PdbxReferenceLinkedEntityCompLink |
Data items in the pdbx_reference_linked_entity_comp_link category enumerate
inter-entity linkages between the components of common observed interaction patterns
described in the pdbx_reference_linked_entity category.
|
| PdbxReferenceLinkedEntityCompList |
Data items in the pdbx_reference_linked_entity_comp_list category lists
the constituents of common observed interaction patterns
described in the pdbx_reference_linked_entity category.
|
| PdbxReferenceLinkedEntityLink |
Data items in the pdbx_reference_linked_entity_link category enumerate
linkages between the entities in common observed interaction patterns
described in the pdbx_reference_linked_entity category.
|
| PdbxReferenceMolecule |
Data items in the PDBX_REFERENCE_MOLECULE category record
reference information about small polymer molecules.
|
| PdbxReferenceMoleculeAnnotation |
Data items in the PDBX_REFERENCE_MOLECULE_ANNOTATION category specify
additional annotation relevant to the molecular entities.
|
| PdbxReferenceMoleculeDetails |
Data items in the PDBX_REFERENCE_MOLECULE_DETAILS category records
textual details about small polymer molecules.
|
| PdbxReferenceMoleculeFamily |
Data items in the PDBX_REFERENCE_MOLECULE_FAMILY category identify
entity families.
|
| PdbxReferenceMoleculeFeatures |
Additional features associated with the reference entity.
|
| PdbxReferenceMoleculeList |
Data items in the PDBX_REFERENCE_MOLECULE_LIST category record
reference information about small polymer molecules.
|
| PdbxReferenceMoleculeRelatedStructures |
Data items in the PDBX_REFERENCE_MOLECULE_RELATED_STRUCTURES category record
details of the structural examples in related databases for this entity.
|
| PdbxReferenceMoleculeSynonyms |
Data items in the PDBX_REFERENCE_MOLECULE_SYNONYMS category records
synonym names for reference entities.
|
| PdbxReferencePublicationList |
Data items in the PDBX_REFERENCE_PUBLICATION_LIST hold reference information
related to PDB citation data.
|
| PdbxRefine |
Data items in the PDBX_REFINE category record details about
additional structure refinement parameters which are needed
to complete legacy REMARK 3 refinement templates in PDB
format files.
|
| PdbxRefineAuxFile |
Auxilary parameter and topology files used in refinement.
|
| PdbxRefineComponent |
Data items in the PDBX_REFINE_COMPONENT category record
statistics of the final model relative to the density map.
|
| PdbxRefineLsRestrNcs |
Holds details of NCS restraints in cases where multiple
conditions are provided for each domain.
|
| PdbxRefineTls |
Data items in the REFINE_TLS category record details about
TLS parameters used in structure refinement.
|
| PdbxRefineTlsGroup |
Data items in the PDBX_REFINE_TLS_GROUP category record details about
a fragment of a TLS group.
|
| PdbxReflnsTwin |
Details decribing crystallographic twinning.
|
| PdbxRelatedExpDataSet |
Data items in the PDBX_RELATED_DATA_SET category record references
to experimental data sets related to the entry.
|
| PdbxRemediationAtomSiteMapping |
Data items in the PDBX_REMEDIATION_ATOM_SITE_MAPPING category records
mapping information between selected molecular entities that have been
chemically redefined.
|
| PdbxReRefinement |
Describes the origin of the experimental data used in this
entry.
|
| PdbxRmchOutlier |
Data items in the PDBX_RMCH_OUTLIER category list the
residues with torsion angles outside the expected
Ramachandran regions.
|
| PdbxRmsDevsCovalent |
Data items in the PDBX_RMS_DEVS_COVALENT record the summary RMS deviations
for nucleic acid covalent geometry relative to small molecule crystal
standards.
|
| PdbxRmsDevsCovByMonomer |
Data items in the PDBX_RMS_DEVS_COV_BY_MONOMER record the RMS deviations
covalent geometry for each momoner relative to small molecule crystal
standards.
|
| PdbxRobotSystem |
The details about each robotic system used to collect data for this
project.
|
| PdbxSeqMapDepositorInfo |
Data items in the PDBX_SEQ_MAP_DEPOSITOR_INFO record the
details about the mapping sample and coordinate sequences.
|
| PdbxSequenceAnnotation |
PDBX_SEQUENCE_ANNOTATION holds internal details about molecular sequences
described in the context of PDB chains.
|
| PdbxSequencePattern |
Data items in the PDBX_SEQUENCE_PATTERN category record
the number of occurences of common step sequence patterns
(e.g.
|
| PdbxSequenceRange |
Data items in the PDBX_SEQUENCE_RANGE category identify the
beginning and ending points of polypeptide sequence segments.
|
| PdbxSerialCrystallographyDataReduction |
Data items in the PDBX_SERIAL_CRYSTALLOGRAPHY_DATA_REDUCTION category record
details about data processing that are unique to XFEL experiments.
|
| PdbxSerialCrystallographyMeasurement |
Data items in the PDBX_SERIAL_CRYSTALLOGRAPHY_MEASUREMENT category record
details the beam that is impinging on the sample
|
| PdbxSerialCrystallographySampleDelivery |
Data items in the PDBX_SERIAL_CRYSTALLOGRAPHY_SAMPLE_DELIVERY category
record general details about the sample delivery
|
| PdbxSerialCrystallographySampleDeliveryFixedTarget |
Data items in the PDBX_SERIAL_CRYSTALLOGRAPHY_SAMPLE_DELIVERY_FIXED_TARGET
category record details about sample delivery using a fixed taget.
|
| PdbxSerialCrystallographySampleDeliveryInjection |
Data items in the PDBX_SERIAL_CRYSTALLOGRAPHY_SAMPLE_DELIVERY_INJECTION
category record details about sample delivery by injection
|
| PdbxSGProject |
Data items in the PDBX_CONTACT_AUTHOR category record details
about the Structural Genomics Project and name and initials
for each Center.
|
| PdbxSolnScatter |
Data items in the PDBX_SOLN_SCATTER category record details about a
solution scattering experiment
|
| PdbxSolnScatterModel |
Data items in the PDBX_SOLN_SCATTER_MODEL category record details about the
homology model fitting to the solution scatter data.
|
| PdbxSolventAtomSiteMapping |
Data items in the PDBX_SOLVENT_ATOM_SITE_MAPPING category records
mapping information between solvent atoms before and after symmetry
repositioning.
|
| PdbxSolventInfo |
Data items in the PDBX_SOLVENT_INFO category are still used until
the 'entity' categories are entered into the database, even though the
information is repeated.
|
| PdbxSource |
Data item will still be used until the ENTITY category is fully
adopted by NDBQuery.
|
| PdbxStereochemistry |
Data items in the PDBX_STEREOCHEMISTRY identify chiral
centers and associated chiral volumes.
|
| PdbxStructAssembly |
Data items in the PDBX_STRUCT_ASSEMBLY category record details about
the structural elements that form macromolecular assemblies.
|
| PdbxStructAssemblyAuthClassification |
Provides reason a particular assembly in pdbx_struct_assembly is
of interest.
|
| PdbxStructAssemblyAuthEvidence |
Provides author supplied evidentiary support for assemblies
in pdbx_struct_assembly.
|
| PdbxStructAssemblyAuthEvidenceDepositorInfo |
Provides author supplied evidentiary support for assemblies
in pdbx_struct_assembly.
|
| PdbxStructAssemblyDepositorInfo |
Data items in the PDBX_STRUCT_ASSEMBLY_DEPOSITOR_INFO category capture
depositor provided information related to the archival cateogory
PDBX_STRUCT_ASSEMBLY.
|
| PdbxStructAssemblyGen |
Data items in the PDBX_STRUCT_ASSEMBLY_GEN category record details about
the generation of each macromolecular assemblies.
|
| PdbxStructAssemblyGenDepositorInfo |
Data items in the PDBX_STRUCT_ASSEMBLY_GEN_DEPOSITOR_INFO category capture
depositor provided information related to the archival cateogory
PDBX_STRUCT_ASSEMBLY_GEN.
|
| PdbxStructAssemblyProp |
Properties and features of structural assemblies.
|
| PdbxStructAssemblyPropDepositorInfo |
Data items in the PDBX_STRUCT_ASSEMBLY_PROP_DEPOSITOR_INFO category capture
depositor provided information related to the archival cateogory
PDBX_STRUCT_ASSEMBLY_PROP.
|
| PdbxStructAsymGen |
Data items in the PDBX_STRUCT_ASYM_GEN category record details about
the generation of the crystallographic asymmetric unit.
|
| PdbxStructBiolFunc |
Data items in the PDBX_STRUCT_BIOL_FUNC category record details about
the function of a particular biological assembly.
|
| PdbxStructChemCompDiagnostics |
Data items in the PDBX_STRUCT_CHEM_COMP_DIAGNOSTICS category provides
structural diagnostics in chemical components instances.
|
| PdbxStructChemCompFeature |
Data items in the PDBX_STRUCT_CHEM_COMP_FEATURE category provides
structural annotations in chemical components instances.
|
| PdbxStructConnAngle |
Data items in the PDBX_STRUCT_CONN_ANGLE category record the angles
in connections between portions of the structure.
|
| PdbxStructEntityInst |
Data items in the PDBX_STRUCT_ENTITY_INST category record details about the
structural elements in the deposited entry.
|
| PdbxStructGroupComponentRange |
Data items in the PDBX_STRUCT_GROUP_COMPONENT_RANGE category define a structural
group as a continuous span chemical components.
|
| PdbxStructGroupComponents |
Data items in the PDBX_STRUCT_GROUP_COMPONENTS category list component-level
group assignments within the entry.
|
| PdbxStructGroupList |
Data items in the PDBX_STRUCT_GROUP_LIST define groups of related components
or atoms.
|
| PdbxStructInfo |
Special features of this structural entry.
|
| PdbxStructLegacyOperList |
Data items in the PDBX_STRUCT_LEGACY_OPER_LIST category describe
Cartesian rotation and translation operations required to
generate or transform the coordinates deposited with this entry.
|
| PdbxStructLink |
Data items in the PDBX_STRUCT_LINK category record details about
covalent linkages in the structure.
|
| PdbxStructModResidue |
Data items in the PDBX_STRUCT_MOD_RESIDUE category list the
modified polymer components in the entry and provide some
details describing the nature of the modification.
|
| PdbxStructMsymGen |
Data items in the PDBX_STRUCT_MSYM_GEN category record details about
the generation of the minimal asymmetric unit.
|
| PdbxStructNcsVirusGen |
Data items in the PDBX_STRUCT_NCS_VIRUS_GEN category record details
about the generation of virus structures from NCS matrix operators.
|
| PdbxStructOperList |
Data items in the PDBX_STRUCT_OPER_LIST category describe
Cartesian rotation and translation operations required to
generate or transform the coordinates deposited with this entry.
|
| PdbxStructOperListDepositorInfo |
Data items in the PDBX_STRUCT_OPER_LIST_DEPOSITOR_INFO category capture
depositor provided information related to the archival cateogory
PDBX_STRUCT_OPER_LIST.
|
| PdbxStructPackGen |
Data items in the PDBX_STRUCT_PACK_GEN category record details about
the generation of the packing picture(s).
|
| PdbxStructRefSeqDeletion |
Data items in the PDBX_STRUCT_REF_SEQ_INSERTION category
annotate deletions in the sequence of the entity described
in the referenced database entry.
|
| PdbxStructRefSeqDepositorInfo |
Data items in the PDBX_STRUCT_REF_SEQ_DEPOSITOR_INFO category capture
depositor provided information related to the archival cateogory
STRUCT_REF_SEQ.
|
| PdbxStructRefSeqDifDepositorInfo |
Data items in the PDBX_STRUCT_REF_SEQ_DIF_DEPOSITOR_INFO category capture
depositor provided information related to the archival cateogory
STRUCT_REF_SEQ_DIF.
|
| PdbxStructRefSeqFeature |
Data items in the PDBX_STRUCT_REF_SEQ_FEATURE category provide a
mechanism for identifying and annotating sequence features.
|
| PdbxStructRefSeqFeatureProp |
Data items in the PDBX_STRUCT_REF_SEQ_FEATURE_PROP category provide a
mechanism for identifying and annotating properties of sequence features.
|
| PdbxStructRefSeqInsertion |
Data items in the PDBX_STRUCT_REF_SEQ_INSERTION category
annotate insertions in the sequence of the entity described
in the referenced database entry.
|
| PdbxStructSheetHbond |
Data items in the PDBX_STRUCT_SHEET_HBOND category record details
about the hydrogen bonding between residue ranges in a beta sheet.
|
| PdbxStructSpecialSymmetry |
Data items in the PDBX_STRUCT_SPECIAL_SYMMETRY category list the
molecular components that lie on special symmetry positions.
|
| PdbxSugarPhosphateGeometry |
Data items in the PDBX_SUGAR_PHOSPHATE_GEOMETRY record the RMS deviations
covalent geometry for each momoner relative to small molecule crystal
standards.
|
| PdbxSummaryFlags |
Container category for a list of feature flags associated
with each structure entry.
|
| PdbxSupportingExpDataSet |
Data items in the PDBX_SUPPORTING_EXP_DATA_SET category record
to experimental data set dependencies for this entry.
|
| PdbxTableinfo |
|
| PdbxTrnaInfo |
Data items in the PDBX_TRNA_INFO category are still used until
the 'entity' categories are entered into the database, even though the
T-RNA is repeated.
|
| PdbxUnobsOrZeroOccAtoms |
Data items in the PDBX_UNOBS_OR_ZERO_OCC_ATOMS category list the
atoms within the entry that are either unobserved or have zero occupancy/
|
| PdbxUnobsOrZeroOccResidues |
Data items in the PDBX_UNOBS_OR_ZERO_OCC_RESIDUES category list the
residues within the entry that are not observed or have zero occupancy.
|
| PdbxUnpair |
These records give information about residues which do not pair
(h-bond) in the asymmetric unit.
|
| PdbxValAngle |
The PDBX_VAL_ANGLE category lists the covalent bond angles
in this entry deviating by greater than 6*sigma from
standard values.
|
| PdbxValBond |
The PDBX_VAL_BOND category lists the covalent bond angles
in this entry deviating by greater than 6*sigma from
standard values.
|
| PdbxValChiral |
Data items in the PDBX_VAL_CHIRAL category list the
atoms with nonstandard chiralities.
|
| PdbxValContact |
The PDBX_VAL_CONTACT category lists non-bonded atoms within the
assymetric unit of the entry that are in close contact.
|
| PdbxValidateChiral |
Data items in the PDBX_VALIDATE_CHIRAL category list the
residues that contain unexpected configuration of chiral
centers.
|
| PdbxValidateCloseContact |
Data items in the PDBX_VALIDATE_CLOSE_CONTACT category list the
atoms within the entry that are in close contact with regard
the distances expected from either covalent bonding or closest
approach by van der Waals contacts.
|
| PdbxValidateMainChainPlane |
Data items in the PDBX_VALIDATE_MAIN_CHAIN_PLANE category list the
residues that contain unexpected deviations from planes
for main chain atoms as defined by the improper torsion
angle describing planarity:
PLANARITY = C(i-1) - CA(i-1) - N(i) - O(i-1) ==> planar < 5
as a pseudo torsion
|
| PdbxValidatePeptideOmega |
Data items in the PDBX_VALIDATE_PEPTIDE_OMEGA category list the
residues that contain peptide bonds deviate
significantly from both cis and trans conformation.
|
| PdbxValidatePlanes |
Data items in the PDBX_VALIDATE_PLANES category list the
residues that contain unexpected deviations from planes
centers.
|
| PdbxValidatePlanesAtom |
Data items in the PDBX_VALIDATE_PLANES_ATOM category list the
residues that contain unexpected deviations from planes
centers.
|
| PdbxValidatePolymerLinkage |
Data items in the PDBX_VALIDATE_POLYMER_LINKAGE category list the
polymer linkages within the entry that are outside of typlical
covalent distances.
|
| PdbxValidateRmsdAngle |
Data items in the PDBX_VALIDATE_RMSD_ANGLE category list the
the covalent bond angles found in an entry that have
values which deviate from expected values by more
than 6*rmsd for the particular entry from the expected standard
value
|
| PdbxValidateRmsdBond |
Data items in the PDBX_VALIDATE_RMSD_BOND category list the
covalent bonds that have values which deviate from expected
values by more than 6*rmsd.
|
| PdbxValidateSymmContact |
Data items in the PDBX_VALIDATE_SYMM_CONTACT category list the
atoms within the entry that are in close contact with regard
the distances expected from either covalent bonding or closest
approach by van der Waals contacts.
|
| PdbxValidateTorsion |
Data items in the PDBX_VALIDATE_TORSION category list the
residues with torsion angles outside the expected ramachandran regions
|
| PdbxValSymContact |
The PDBX_VAL_SYM_CONTACT category lists symmetry related
contacts amoung non-bonded atoms.
|
| PdbxVersion |
Data items in the PDBX_VERSION category record details about the
version of this entry.
|
| PdbxViewCategory |
Data items in the PDBX_VIEW_CATEGORY specify the categories
belonging to a category view group.
|
| PdbxViewCategoryGroup |
Data items in the PDBX_VIEW_CATEGORY_GROUP identify collections
of related mmCIF categories.
|
| PdbxViewItem |
Data items in the PDBX_VIEW_ITEM specify the mmCIF data items
belonging to a view category.
|
| PdbxVirtualAngle |
Data items in the PDBX_VIRTUAL_ANGLE category record details about the
molecular virtual angles, as calculated from the contents
of the ATOM, CELL, and SYMMETRY data.
|
| PdbxVirtualBond |
Data items in the PDBX_VIRTUAL_BOND category record details about
virtual bonds, as calculated from the contents
of the ATOM, CELL, and SYMMETRY data.
|
| PdbxVirtualTorsion |
Data items in the PDBX_VIRTUAL_TORSION category record details about
virtual torsion angles, as calculated from the contents of the ATOM,
CELL, and SYMMETRY data.
|
| PdbxXplorFile |
Parameter and topology files used in X-PLOR/CNS refinement.
|
| Phasing |
Data items in the PHASING category record details about the
phasing of the structure, listing the various methods used in
the phasing process.
|
| PhasingAveraging |
Data items in the PHASING_AVERAGING category record details
about the phasing of the structure where methods involving
averaging of multiple observations of the molecule in the
asymmetric unit are involved.
|
| PhasingIsomorphous |
Data items in the PHASING_ISOMORPHOUS category record details
about the phasing of the structure where a model isomorphous
to the structure being phased was used to generate the initial
phases.
|
| PhasingMAD |
Data items in the PHASING_MAD category record details about
the phasing of the structure where methods involving
multiple-wavelength anomalous-dispersion techniques are involved.
|
| PhasingMADClust |
Data items in the PHASING_MAD_CLUST category record details
about a cluster of experiments that contributed to the
generation of a set of phases.
|
| PhasingMADExpt |
Data items in the PHASING_MAD_EXPT category record details about
a MAD phasing experiment, such as the number of experiments that
were clustered together to produce a set of phases or the
statistics for those phases.
|
| PhasingMADRatio |
Data items in the PHASING_MAD_RATIO category record
the ratios of phasing statistics between pairs of data sets
in a MAD phasing experiment, in given shells of resolution.
|
| PhasingMADSet |
Data items in the PHASING_MAD_SET category record
details about the individual data sets used in a MAD phasing
experiment.
|
| PhasingMIR |
Data items in the PHASING_MIR category record details about
the phasing of the structure where methods involving isomorphous
replacement are involved.
|
| PhasingMIRDer |
Data items in the PHASING_MIR_DER category record details
about individual derivatives used in the phasing of the
structure when methods involving isomorphous replacement are
involved.
|
| PhasingMIRDerRefln |
Data items in the PHASING_MIR_DER_REFLN category record details
about the calculated structure factors obtained in an MIR
phasing experiment.
|
| PhasingMIRDerShell |
Data items in the PHASING_MIR_DER_SHELL category record
statistics, broken down into shells of resolution, for an MIR
phasing experiment.
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| PhasingMIRDerSite |
Data items in the PHASING_MIR_DER_SITE category record details
about the heavy-atom sites in an MIR phasing experiment.
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| PhasingMIRShell |
Data items in the PHASING_MIR_SHELL category record statistics
for an isomorphous replacement phasing experiment.broken
down into shells of resolution.
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| PhasingSet |
Data items in the PHASING_SET category record details about
the data sets used in a phasing experiment.
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| PhasingSetRefln |
Data items in the PHASING_SET_REFLN category record the values
of the measured structure factors used in a phasing experiment.
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| Publ |
Data items in the PUBL category are used when submitting a
manuscript for publication.
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| PublAuthor |
Data items in the PUBL_AUTHOR category record details of
the authors of a manuscript submitted for publication.
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| PublBody |
Data items in the PUBL_BODY category permit the labelling of
different text sections within the body of a paper.
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| PublManuscriptIncl |
Data items in the PUBL_MANUSCRIPT_INCL category allow
the authors of a manuscript submitted for publication to list
data names that should be added to the standard request list
used by the journal printing software.
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| Refine |
Data items in the REFINE category record details about the
structure-refinement parameters.
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| RefineAnalyze |
Data items in the REFINE_ANALYZE category record details
about the refined structure that are often used to analyze the
refinement and assess its quality.
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| RefineBIso |
Data items in the REFINE_B_ISO category record details about
the treatment of isotropic B factors (displacement parameters)
during refinement.
|
| RefineFunctMinimized |
Data items in the REFINE_FUNCT_MINIMIZED category record
details about the individual terms of the function minimized
during refinement.
|
| RefineHist |
Data items in the REFINE_HIST category record details about the
steps during the refinement of the structure.
|
| RefineLsClass |
Data items in the REFINE_LS_CLASS category record details
about the reflections used for the structure refinement
for each reflection class separately.
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| RefineLsRestr |
Data items in the REFINE_LS_RESTR category record details about
the restraints applied to various classes of parameters during
the least-squares refinement.
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| RefineLsRestrNcs |
Data items in the REFINE_LS_RESTR_NCS category record details
about the restraints applied to atom positions in domains
related by noncrystallographic symmetry during least-squares
refinement, and also about the deviation of the restrained
atomic parameters at the end of the refinement.
|
| RefineLsRestrType |
Data items in the REFINE_LS_RESTR_TYPE category record details
about the restraint types used in the least-squares refinement.
|
| RefineLsShell |
Data items in the REFINE_LS_SHELL category record details about
the results of the least-squares refinement broken down into
shells of resolution.
|
| RefineOccupancy |
Data items in the REFINE_OCCUPANCY category record details
about the treatment of atom occupancies during refinement.
|
| Refln |
Data items in the REFLN category record details about the
reflection data used to determine the ATOM_SITE data items.
|
| Reflns |
Data items in the REFLNS category record details about the
reflection data used to determine the ATOM_SITE data items.
|
| ReflnsClass |
Data items in the REFLNS_CLASS category record details
of the reflections used to determine the structural
parameters for each reflection class.
|
| ReflnsScale |
Data items in the REFLNS_SCALE category record details about
the structure-factor scales.
|
| ReflnsShell |
Data items in the REFLNS_SHELL category record details about
the reflection data used to determine the ATOM_SITE data items
broken down into shells of resolution.
|
| ReflnSysAbs |
Data items in the REFLN_SYS_ABS category record details about
the reflection data that should be systematically absent,
given the designated space group.
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| Software |
Data items in the SOFTWARE category record details about
the software used in the structure analysis, which implies
any software used in the generation of any data items
associated with the structure determination and
structure representation.
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| SpaceGroup |
Contains all the data items that refer to the space group as a
whole, such as its name or crystal system.
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| SpaceGroupSymop |
Contains information about the symmetry operations of the
space group.
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| Struct |
Data items in the STRUCT category record details about the
description of the crystallographic structure.
|
| StructAsym |
Data items in the STRUCT_ASYM category record details about the
structural elements in the asymmetric unit.
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| StructBiol |
Data items in the STRUCT_BIOL category record details about
the structural elements that form each structure of biological
significance.
|
| StructBiolGen |
Data items in the STRUCT_BIOL_GEN category record details about
the generation of each biological unit.
|
| StructBiolKeywords |
Data items in the STRUCT_BIOL_KEYWORDS category record
keywords that describe each biological unit.
|
| StructBiolView |
Data items in the STRUCT_BIOL_VIEW category record details
about how to draw and annotate an informative view of the
biological structure.
|
| StructConf |
Data items in the STRUCT_CONF category record details about
the backbone conformation of a segment of polymer.
|
| StructConfType |
Data items in the STRUCT_CONF_TYPE category record details
about the criteria used to identify backbone conformations of a
segment of polymer.
|
| StructConn |
Data items in the STRUCT_CONN category record details about
the connections between portions of the structure.
|
| StructConnType |
Data items in the STRUCT_CONN_TYPE category record details
about the criteria used to identify interactions between
portions of the structure.
|
| StructKeywords |
Data items in the STRUCT_KEYWORDS category specify keywords
that describe the chemical structure in this entry.
|
| StructMonDetails |
Data items in the STRUCT_MON_DETAILS category record details
about specifics of calculations summarized in data items in the
STRUCT_MON_PROT and STRUCT_MON_NUCL categories.
|
| StructMonNucl |
Data items in the STRUCT_MON_NUCL category record details about
structural properties of a nucleic acid when analyzed at the
monomer level.
|
| StructMonProt |
Data items in the STRUCT_MON_PROT category record details about
structural properties of a protein when analyzed at the monomer
level.
|
| StructMonProtCis |
Data items in the STRUCT_MON_PROT_CIS category identify
monomers that have been found to have the peptide bond in the cis
conformation.
|
| StructNcsDom |
Data items in the STRUCT_NCS_DOM category record information
about the domains in an ensemble of domains related by one or
more noncrystallographic symmetry operators.
|
| StructNcsDomLim |
Data items in the STRUCT_NCS_DOM_LIM category identify the
start and end points of polypeptide chain segments
that form all or part of a domain in an ensemble of domains
related by noncrystallographic symmetry.
|
| StructNcsEns |
Data items in the STRUCT_NCS_ENS category record information
about ensembles of domains related by noncrystallographic
symmetry.
|
| StructNcsEnsGen |
Data items in the STRUCT_NCS_ENS_GEN category list domains
related by a noncrystallographic symmetry operation and
identify the operator.
|
| StructNcsOper |
Data items in the STRUCT_NCS_OPER category describe the
noncrystallographic symmetry operations.
|
| StructRef |
Data items in the STRUCT_REF category allow the author of a
data block to relate the entities or biological units
described in the data block to information archived in external
databases.
|
| StructRefSeq |
Data items in the STRUCT_REF_SEQ category provide a mechanism
for indicating and annotating a region (or regions) of alignment
between the sequence of an entity or biological unit described
in the data block and the sequence in the referenced database
entry.
|
| StructRefSeqDif |
Data items in the STRUCT_REF_SEQ_DIF category provide a
mechanism for indicating and annotating point differences
between the sequence of the entity or biological unit described
in the data block and the sequence of the referenced database
entry.
|
| StructSheet |
Data items in the STRUCT_SHEET category record details about
the beta-sheets.
|
| StructSheetHbond |
Data items in the STRUCT_SHEET_HBOND category record details
about the hydrogen bonding between residue ranges in a beta-
sheet.
|
| StructSheetOrder |
Data items in the STRUCT_SHEET_ORDER category record details
about the order of the residue ranges that form a beta-sheet.
|
| StructSheetRange |
Data items in the STRUCT_SHEET_RANGE category record details
about the residue ranges that form a beta-sheet.
|
| StructSheetTopology |
Data items in the STRUCT_SHEET_TOPOLOGY category record details
about the topology of the residue ranges that form a beta-sheet.
|
| StructSite |
Data items in the STRUCT_SITE category record details about
portions of the structure that contribute to structurally
relevant sites (e.g.
|
| StructSiteGen |
Data items in the STRUCT_SITE_GEN category record details about
the generation of portions of the structure that contribute to
structurally relevant sites.
|
| StructSiteKeywords |
Data items in the STRUCT_SITE_KEYWORDS category record
keywords describing the site.
|
| StructSiteView |
Data items in the STRUCT_SITE_VIEW category record details
about how to draw and annotate an informative view of the
site.
|
| Symmetry |
Data items in the SYMMETRY category record details about the
space-group symmetry.
|
| SymmetryEquiv |
Data items in the SYMMETRY_EQUIV category list the
symmetry-equivalent positions for the space group.
|
| ValenceParam |
Data items in the VALENCE_PARAM category define the
parameters used for calculating bond valences from bond
lengths.
|
| ValenceRef |
Data items in the VALENCE_REF category list the references
from which the bond-valence parameters have been taken.
|