Package org.rcsb.cif.model.generated
Class PdbxNmrEnsembleRms
- java.lang.Object
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- org.rcsb.cif.model.BaseCategory
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- org.rcsb.cif.model.generated.PdbxNmrEnsembleRms
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- All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.generator.SchemaGenerator") public class PdbxNmrEnsembleRms extends BaseCategory
Structural statistics are derived from molecular dynamics and simulated annealing programs.
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Field Summary
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Fields inherited from class org.rcsb.cif.model.BaseCategory
isText, textFields
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Constructor Summary
Constructors Constructor Description PdbxNmrEnsembleRms(String name)PdbxNmrEnsembleRms(String name, int rowCount, Object[] encodedColumns)PdbxNmrEnsembleRms(String name, Map<String,Column> columns)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description StrColumngetAtomType()Statistics are often calculated over only some of the atoms, e.g.FloatColumngetBondAngleRmsDev()The bond angle rmsd to the target values for the ensemble.FloatColumngetBondAngleRmsDevError()The error in the bond angle rmsd.StrColumngetChainRangeBegin()The beginning chain id.StrColumngetChainRangeEnd()The ending chain id:StrColumngetCoordAverageRmsdMethod()Describe the method for calculating the coordinate average rmsd.FloatColumngetCovalentBondRmsDev()The covalent bond rmsd to the target value for the ensemble.FloatColumngetCovalentBondRmsDevError()The error in the covalent bond rmsd.FloatColumngetDihedralAnglesRmsDev()The dihedral angle rmsd to the target values for the ensemble.FloatColumngetDihedralAnglesRmsDevError()The error of the rmsd dihedral angles.FloatColumngetDistanceRmsDev()The distance rmsd to the mean structure for the ensemble of structures.FloatColumngetDistanceRmsDevError()The error in the distance rmsd.StrColumngetEntryId()'?'FloatColumngetImproperTorsionAngleRmsDev()The improper torsion angle rmsd to the target values for the ensemble.FloatColumngetImproperTorsionAngleRmsDevError()The error in the improper torsion angle rmsd.FloatColumngetPeptidePlanarityRmsDev()The peptide planarity rmsd.FloatColumngetPeptidePlanarityRmsDevError()The error in the peptide planarity rmsd.IntColumngetResidueRangeBegin()Structure statistics are often calculated only over the well-ordered region(s) of the biopolymer.IntColumngetResidueRangeEnd()The ending residue number: e.g.-
Methods inherited from class org.rcsb.cif.model.BaseCategory
getBinaryColumn, getCategoryName, getColumn, getColumnNames, getRowCount, isDefined
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Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
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Methods inherited from interface org.rcsb.cif.model.Category
columnNames, columns, get
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Method Detail
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getEntryId
public StrColumn getEntryId()
'?'- Returns:
- StrColumn
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getResidueRangeBegin
public IntColumn getResidueRangeBegin()
Structure statistics are often calculated only over the well-ordered region(s) of the biopolymer. Portions of the macromolecule are often mobile and disordered, hence they are excluded in calculating the statistics. To define the range(s) over which the statistics are calculated, enter the beginning residue number(s): e.g. if the regions used were 5-32 and 41-69, enter 5,41- Returns:
- IntColumn
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getChainRangeBegin
public StrColumn getChainRangeBegin()
The beginning chain id.- Returns:
- StrColumn
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getResidueRangeEnd
public IntColumn getResidueRangeEnd()
The ending residue number: e.g. 32,69.- Returns:
- IntColumn
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getChainRangeEnd
public StrColumn getChainRangeEnd()
The ending chain id:- Returns:
- StrColumn
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getAtomType
public StrColumn getAtomType()
Statistics are often calculated over only some of the atoms, e.g. backbone, or heavy atoms. Describe which type of atoms are used for the statistical analysis.- Returns:
- StrColumn
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getDistanceRmsDev
public FloatColumn getDistanceRmsDev()
The distance rmsd to the mean structure for the ensemble of structures.- Returns:
- FloatColumn
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getDistanceRmsDevError
public FloatColumn getDistanceRmsDevError()
The error in the distance rmsd.- Returns:
- FloatColumn
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getCovalentBondRmsDev
public FloatColumn getCovalentBondRmsDev()
The covalent bond rmsd to the target value for the ensemble.- Returns:
- FloatColumn
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getCovalentBondRmsDevError
public FloatColumn getCovalentBondRmsDevError()
The error in the covalent bond rmsd.- Returns:
- FloatColumn
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getBondAngleRmsDev
public FloatColumn getBondAngleRmsDev()
The bond angle rmsd to the target values for the ensemble.- Returns:
- FloatColumn
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getBondAngleRmsDevError
public FloatColumn getBondAngleRmsDevError()
The error in the bond angle rmsd.- Returns:
- FloatColumn
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getImproperTorsionAngleRmsDev
public FloatColumn getImproperTorsionAngleRmsDev()
The improper torsion angle rmsd to the target values for the ensemble.- Returns:
- FloatColumn
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getImproperTorsionAngleRmsDevError
public FloatColumn getImproperTorsionAngleRmsDevError()
The error in the improper torsion angle rmsd.- Returns:
- FloatColumn
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getPeptidePlanarityRmsDev
public FloatColumn getPeptidePlanarityRmsDev()
The peptide planarity rmsd.- Returns:
- FloatColumn
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getPeptidePlanarityRmsDevError
public FloatColumn getPeptidePlanarityRmsDevError()
The error in the peptide planarity rmsd.- Returns:
- FloatColumn
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getDihedralAnglesRmsDev
public FloatColumn getDihedralAnglesRmsDev()
The dihedral angle rmsd to the target values for the ensemble.- Returns:
- FloatColumn
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getDihedralAnglesRmsDevError
public FloatColumn getDihedralAnglesRmsDevError()
The error of the rmsd dihedral angles.- Returns:
- FloatColumn
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getCoordAverageRmsdMethod
public StrColumn getCoordAverageRmsdMethod()
Describe the method for calculating the coordinate average rmsd.- Returns:
- StrColumn
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