
public class GenericDecoder extends Object implements StructureDataInterface
| Constructor and Description |
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GenericDecoder(MmtfStructure inputData)
Constructor for the default decoder.
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| Modifier and Type | Method and Description |
|---|---|
char[] |
getAltLocIds()
Returns an array of location ids of the atoms.
|
int[] |
getAtomIds()
Returns an array of atom serial ids (_atom_site.id in mmCIF dictionary).
|
float[] |
getbFactors()
Returns an array containing the B-factors (temperature factors) of the atoms in Angstroms^2.
|
String |
getBioassemblyName(int bioassemblyIndex)
Returns the name of the transformation for a bioassembly.
|
String[] |
getChainIds()
Returns an array of internal chain identifiers (asym_ids in mmCIF dictionary), of length the
number of chains (polymeric, non-polymeric and water) in the structure.
|
int[] |
getChainIndexListForTransform(int bioassemblyIndex,
int transformationIndex)
Returns the list of chain indices for the given transformation for the given bioassembly.
|
String[] |
getChainNames()
Returns an array of public chain identifiers (auth_ids in mmCIF dictionary), of length the
number of chains (polymeric, non-polymeric and water) in the structure.
|
int[] |
getChainsPerModel()
Returns an array containing the number of chains (polymeric/non-polymeric/water) in each model.
|
String |
getDepositionDate()
Returns the deposition date of the structure as a string
in ISO time standard format.
|
int[] |
getEntityChainIndexList(int entityInd)
Returns the chain indices for the entity specified by the index.
|
String |
getEntityDescription(int entityInd)
Returns the entity description (as defined in mmCIF dictionary)
for the entity specified by the index.
|
String |
getEntitySequence(int entityInd)
Returns the sequence for the entity specified by the index.
|
String |
getEntityType(int entityInd)
Returns the entity type (polymer, non-polymer, water) for the entity specified by the index.
|
String[] |
getExperimentalMethods()
Returns the experimental methods as an array of strings.
|
int[] |
getGroupAtomCharges(int groupInd)
Returns the atom charges for the group specified in
StructureDataInterface.getGroupTypeIndices(). |
String[] |
getGroupAtomNames(int groupInd)
Returns the atom names (e.g.
|
int[] |
getGroupBondIndices(int groupInd)
Returns the zero-based bond indices (in pairs) for the group specified in
StructureDataInterface.getGroupTypeIndices(). |
int[] |
getGroupBondOrders(int groupInd)
Returns the bond orders for the group specified in
StructureDataInterface.getGroupTypeIndices(). |
String |
getGroupChemCompType(int groupInd)
Returns the chemical component type for the group specified in
StructureDataInterface.getGroupTypeIndices(). |
String[] |
getGroupElementNames(int groupInd)
Returns the IUPAC element names (e.g.
|
int[] |
getGroupIds()
Returns an array containing residue numbers (auth_seq_id in mmCIF dictionary) for each residue (group).
|
String |
getGroupName(int groupInd)
Returns the group name for the group specified in
StructureDataInterface.getGroupTypeIndices(). |
int[] |
getGroupSequenceIndices()
Returns an array containing the indices of groups (residues) in their corresponding sequences,
obtainable through
StructureDataInterface.getEntitySequence(int). |
char |
getGroupSingleLetterCode(int groupInd)
Returns the single letter amino acid code or nucleotide code for the
group specified in
StructureDataInterface.getGroupTypeIndices(). |
int[] |
getGroupsPerChain()
Returns an array containing the number of groups (residues) in each chain.
|
int[] |
getGroupTypeIndices()
Returns an array containing indices to be used to obtain group level information,
e.g.
|
char[] |
getInsCodes()
Returns an array containing the insertion codes (pdbx_PDB_ins_code in mmCIF dictionary) for each residue (group).
|
int[] |
getInterGroupBondIndices()
Returns the zero-based bond indices (in pairs) for the structure.
|
int[] |
getInterGroupBondOrders()
Returns an array of bond orders (1,2,3) of inter-group bonds with length number of inter-group bonds
|
double[] |
getMatrixForTransform(int bioassemblyIndex,
int transformationIndex)
Returns a 4x4 transformation matrix for the given transformation for the given bioassembly.
|
String |
getMmtfProducer()
Returns a string describing the producer of the MMTF file.
|
String |
getMmtfVersion()
Returns the MMTF version number (from the specification).
|
double[][] |
getNcsOperatorList()
Returns the NCS operation matrix list.
|
int |
getNumAtoms()
Returns the number of atoms in the structure.
|
int |
getNumAtomsInGroup(int groupInd)
Returns the number of atoms in the group specified in
StructureDataInterface.getGroupTypeIndices(). |
int |
getNumBioassemblies()
Returns the number of bioassemblies in this structure.
|
int |
getNumBonds()
Returns the total number of bonds in the structure
|
int |
getNumChains()
Returns the number of chains (for all models) in the structure.
|
int |
getNumEntities()
Returns the number of entities (as defined in mmCIF dictionary) in the structure
|
int |
getNumGroups()
Returns the number of groups (residues) in the structure that have
experimentally determined 3D coordinates.
|
int |
getNumModels()
Returns the number of models in the structure.
|
int |
getNumTransInBioassembly(int bioassemblyIndex)
Returns the number of transformations in a given bioassembly.
|
float[] |
getOccupancies()
Returns an array containing the occupancy values of the atoms.
|
String |
getReleaseDate()
Returns the release date of the structure as a string
in ISO time standard format.
|
float |
getResolution()
Returns the resolution of the dataset.
|
float |
getRfree()
Returns the Rfree of the dataset.
|
float |
getRwork()
Returns the Rwork of the dataset.
|
int[] |
getSecStructList()
Returns the secondary structure information for the structure as a list of integers
|
String |
getSpaceGroup()
Returns the space group of the structure.
|
String |
getStructureId()
Returns the identifier of the structure.
|
String |
getTitle()
Returns the title of the structure.
|
float[] |
getUnitCell()
Returns the 6 floats that describe the unit cell.
|
float[] |
getxCoords()
Returns an array containing the X coordinates of the atoms in Angstroms.
|
float[] |
getyCoords()
Returns an array containing the Y coordinates of the atoms in Angstroms.
|
float[] |
getzCoords()
Returns an array containing the Z coordinates of the atoms in Angstroms.
|
public GenericDecoder(MmtfStructure inputData)
inputData - The input mmtfBean data to be decompressed.public float[] getxCoords()
StructureDataInterfacegetxCoords in interface StructureDataInterfaceStructureDataInterface.getNumAtoms()public float[] getyCoords()
StructureDataInterfacegetyCoords in interface StructureDataInterfaceStructureDataInterface.getNumAtoms()public float[] getzCoords()
StructureDataInterfacegetzCoords in interface StructureDataInterfaceStructureDataInterface.getNumAtoms()public float[] getbFactors()
StructureDataInterfacegetbFactors in interface StructureDataInterfaceStructureDataInterface.getNumAtoms()public float[] getOccupancies()
StructureDataInterfacegetOccupancies in interface StructureDataInterfaceStructureDataInterface.getNumAtoms()public int[] getAtomIds()
StructureDataInterfacegetAtomIds in interface StructureDataInterfaceStructureDataInterface.getNumAtoms()public char[] getAltLocIds()
StructureDataInterfacegetAltLocIds in interface StructureDataInterfaceStructureDataInterface.getNumAtoms()public char[] getInsCodes()
StructureDataInterfacegetInsCodes in interface StructureDataInterfaceStructureDataInterface.getNumGroups()StructureDataInterface.getGroupIds()public int[] getGroupIds()
StructureDataInterfacegetGroupIds in interface StructureDataInterfaceStructureDataInterface.getNumGroups()StructureDataInterface.getInsCodes()public int[] getGroupTypeIndices()
StructureDataInterfaceStructureDataInterface.getGroupAtomCharges(int).getGroupTypeIndices in interface StructureDataInterfaceStructureDataInterface.getNumGroups()public int[] getGroupSequenceIndices()
StructureDataInterfaceStructureDataInterface.getEntitySequence(int).
The indices are 0-based and specified per entity, -1 indicates the group is not present in the sequence.getGroupSequenceIndices in interface StructureDataInterfaceStructureDataInterface.getNumGroups()public String[] getChainNames()
StructureDataInterfacegetChainNames in interface StructureDataInterfaceStructureDataInterface.getNumChains()StructureDataInterface.getChainIds()public int[] getChainsPerModel()
StructureDataInterfacegetChainsPerModel in interface StructureDataInterfaceStructureDataInterface.getNumModels()public int[] getGroupsPerChain()
StructureDataInterfacegetGroupsPerChain in interface StructureDataInterfaceStructureDataInterface.getNumChains()public String getSpaceGroup()
StructureDataInterfacegetSpaceGroup in interface StructureDataInterfacepublic float[] getUnitCell()
StructureDataInterfacegetUnitCell in interface StructureDataInterfacepublic int[] getInterGroupBondIndices()
StructureDataInterfacegetInterGroupBondIndices in interface StructureDataInterfacepublic int[] getInterGroupBondOrders()
StructureDataInterfacegetInterGroupBondOrders in interface StructureDataInterfacepublic String[] getChainIds()
StructureDataInterfacegetChainIds in interface StructureDataInterfaceStructureDataInterface.getNumChains()StructureDataInterface.getChainNames()public String getMmtfVersion()
StructureDataInterfacegetMmtfVersion in interface StructureDataInterfacepublic String getMmtfProducer()
StructureDataInterfacegetMmtfProducer in interface StructureDataInterfacepublic String getStructureId()
StructureDataInterfacegetStructureId in interface StructureDataInterfacepublic int getNumGroups()
StructureDataInterfacegetNumGroups in interface StructureDataInterfacepublic int getNumChains()
StructureDataInterfacegetNumChains in interface StructureDataInterfaceStructureDataInterface.getChainsPerModel()public int getNumModels()
StructureDataInterfacegetNumModels in interface StructureDataInterfacepublic int getNumAtoms()
StructureDataInterfacegetNumAtoms in interface StructureDataInterfacepublic float getRfree()
StructureDataInterfacegetRfree in interface StructureDataInterfacepublic float getResolution()
StructureDataInterfacegetResolution in interface StructureDataInterfacepublic float getRwork()
StructureDataInterfacegetRwork in interface StructureDataInterfacepublic String getTitle()
StructureDataInterfacegetTitle in interface StructureDataInterfacepublic String[] getExperimentalMethods()
StructureDataInterfacegetExperimentalMethods in interface StructureDataInterfacepublic String getGroupName(int groupInd)
StructureDataInterfaceStructureDataInterface.getGroupTypeIndices().
to link groups to the 3 letter group name, e.g. HIS.getGroupName in interface StructureDataInterfacegroupInd - The index of the group specified in StructureDataInterface.getGroupTypeIndices().public int getNumAtomsInGroup(int groupInd)
StructureDataInterfaceStructureDataInterface.getGroupTypeIndices().getNumAtomsInGroup in interface StructureDataInterfacegroupInd - The index of the group specified in StructureDataInterface.getGroupTypeIndices().public String[] getGroupAtomNames(int groupInd)
StructureDataInterfaceStructureDataInterface.getGroupTypeIndices().
Atom names are unique for each unique atom in a group.getGroupAtomNames in interface StructureDataInterfacegroupInd - The index of the group specified in StructureDataInterface.getGroupTypeIndices().public String[] getGroupElementNames(int groupInd)
StructureDataInterfaceStructureDataInterface.getGroupTypeIndices().getGroupElementNames in interface StructureDataInterfacegroupInd - the index of the group specified in StructureDataInterface.getGroupTypeIndices().public int[] getGroupBondOrders(int groupInd)
StructureDataInterfaceStructureDataInterface.getGroupTypeIndices().
A list of integers indicating the bond ordersgetGroupBondOrders in interface StructureDataInterfacegroupInd - the index of the group specified in StructureDataInterface.getGroupTypeIndices().public int[] getGroupBondIndices(int groupInd)
StructureDataInterfaceStructureDataInterface.getGroupTypeIndices().
(e.g. 0,1 means there is bond between atom 0 and 1).getGroupBondIndices in interface StructureDataInterfacegroupInd - the index of the group specified in StructureDataInterface.getGroupTypeIndices().public int[] getGroupAtomCharges(int groupInd)
StructureDataInterfaceStructureDataInterface.getGroupTypeIndices().getGroupAtomCharges in interface StructureDataInterfacegroupInd - the index of the group specified in StructureDataInterface.getGroupTypeIndices().public char getGroupSingleLetterCode(int groupInd)
StructureDataInterfaceStructureDataInterface.getGroupTypeIndices().getGroupSingleLetterCode in interface StructureDataInterfacegroupInd - the index of the group specified in StructureDataInterface.getGroupTypeIndices().public String getGroupChemCompType(int groupInd)
StructureDataInterfaceStructureDataInterface.getGroupTypeIndices().getGroupChemCompType in interface StructureDataInterfacegroupInd - The index of the group specified in StructureDataInterface.getGroupTypeIndices().public String getEntityDescription(int entityInd)
StructureDataInterfacegetEntityDescription in interface StructureDataInterfaceentityInd - the index of the specified entity.public String getEntityType(int entityInd)
StructureDataInterfacegetEntityType in interface StructureDataInterfaceentityInd - the index of the specified entity.public int[] getEntityChainIndexList(int entityInd)
StructureDataInterfacegetEntityChainIndexList in interface StructureDataInterfaceentityInd - the index of the specified entity.public String getEntitySequence(int entityInd)
StructureDataInterfacegetEntitySequence in interface StructureDataInterfaceentityInd - the index of the specified entity.public int getNumEntities()
StructureDataInterfacegetNumEntities in interface StructureDataInterfacepublic int getNumBioassemblies()
StructureDataInterfacegetNumBioassemblies in interface StructureDataInterfacepublic int getNumTransInBioassembly(int bioassemblyIndex)
StructureDataInterfacegetNumTransInBioassembly in interface StructureDataInterfacebioassemblyIndex - an integer specifying the bioassembly index (zero indexed).public int[] getChainIndexListForTransform(int bioassemblyIndex,
int transformationIndex)
StructureDataInterfacegetChainIndexListForTransform in interface StructureDataInterfacebioassemblyIndex - an integer specifying the bioassembly index (zero indexed).transformationIndex - an integer specifying the index (zero indexed) for the desired transformation.public double[] getMatrixForTransform(int bioassemblyIndex,
int transformationIndex)
StructureDataInterfacegetMatrixForTransform in interface StructureDataInterfacebioassemblyIndex - an integer specifying the bioassembly index (zero indexed).transformationIndex - an integer specifying the index for the desired transformation (zero indexed).public String getDepositionDate()
StructureDataInterfacegetDepositionDate in interface StructureDataInterfacepublic int getNumBonds()
StructureDataInterfacegetNumBonds in interface StructureDataInterfacepublic int[] getSecStructList()
StructureDataInterfacegetSecStructList in interface StructureDataInterfacepublic String getReleaseDate()
StructureDataInterfacegetReleaseDate in interface StructureDataInterfacepublic double[][] getNcsOperatorList()
StructureDataInterfacegetNcsOperatorList in interface StructureDataInterfacepublic String getBioassemblyName(int bioassemblyIndex)
StructureDataInterfacegetBioassemblyName in interface StructureDataInterfacebioassemblyIndex - an integer specifying the bioassembly index (zero indexed).Copyright © 2015–2016 RCSB PDB. All rights reserved.