Package org.rcsb.cif.schema.mm

Class PdbxNmrEnsembleRms

java.lang.Object

org.rcsb.cif.schema.DelegatingCategory

org.rcsb.cif.schema.mm.PdbxNmrEnsembleRms

All Implemented Interfaces:

Category

@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class PdbxNmrEnsembleRms
extends DelegatingCategory

Structural statistics are derived from molecular dynamics and simulated annealing programs.

Nested Class Summary

Nested classes/interfaces inherited from class org.rcsb.cif.schema.DelegatingCategory

DelegatingCategory.DelegatingCifCoreCategory

Nested classes/interfaces inherited from interface org.rcsb.cif.model.Category

Category.EmptyCategory

Field Summary

Fields inherited from class org.rcsb.cif.schema.DelegatingCategory

delegate

Constructor Summary

Constructors

Constructor	Description
PdbxNmrEnsembleRms(Category delegate)

Method Summary

Modifier and Type	Method	Description
protected Column	createDelegate(String columnName, Column column)
StrColumn	getAtomType()	Statistics are often calculated over only some of the atoms, e.g.
FloatColumn	getBondAngleRmsDev()	The bond angle rmsd to the target values for the ensemble.
FloatColumn	getBondAngleRmsDevError()	The error in the bond angle rmsd.
StrColumn	getChainRangeBegin()	The beginning chain id.
StrColumn	getChainRangeEnd()	The ending chain id:
StrColumn	getCoordAverageRmsdMethod()	Describe the method for calculating the coordinate average rmsd.
FloatColumn	getCovalentBondRmsDev()	The covalent bond rmsd to the target value for the ensemble.
FloatColumn	getCovalentBondRmsDevError()	The error in the covalent bond rmsd.
FloatColumn	getDihedralAnglesRmsDev()	The dihedral angle rmsd to the target values for the ensemble.
FloatColumn	getDihedralAnglesRmsDevError()	The error of the rmsd dihedral angles.
FloatColumn	getDistanceRmsDev()	The distance rmsd to the mean structure for the ensemble of structures.
FloatColumn	getDistanceRmsDevError()	The error in the distance rmsd.
StrColumn	getEntryId()	'?'
FloatColumn	getImproperTorsionAngleRmsDev()	The improper torsion angle rmsd to the target values for the ensemble.
FloatColumn	getImproperTorsionAngleRmsDevError()	The error in the improper torsion angle rmsd.
FloatColumn	getPeptidePlanarityRmsDev()	The peptide planarity rmsd.
FloatColumn	getPeptidePlanarityRmsDevError()	The error in the peptide planarity rmsd.
IntColumn	getResidueRangeBegin()	Structure statistics are often calculated only over the well-ordered region(s) of the biopolymer.
IntColumn	getResidueRangeEnd()	The ending residue number: e.g.

Methods inherited from class org.rcsb.cif.schema.DelegatingCategory

getCategoryName, getColumn, getColumns, getRowCount

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from interface org.rcsb.cif.model.Category

columns, getColumn, isDefined

Constructor Details

PdbxNmrEnsembleRms

public PdbxNmrEnsembleRms(Category delegate)

Method Details

createDelegate

protected Column createDelegate(String columnName, Column column)

Overrides:

createDelegate in class DelegatingCategory

getEntryId

public StrColumn getEntryId()

'?'

Returns:

StrColumn

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

getChainRangeBegin

public StrColumn getChainRangeBegin()

The beginning chain id.

Returns:

StrColumn

getResidueRangeEnd

public IntColumn getResidueRangeEnd()

The ending residue number: e.g. 32,69.

Returns:

IntColumn

getChainRangeEnd

public StrColumn getChainRangeEnd()

The ending chain id:

Returns:

StrColumn

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

getDistanceRmsDev

public FloatColumn getDistanceRmsDev()

The distance rmsd to the mean structure for the ensemble of structures.

Returns:

FloatColumn

getDistanceRmsDevError

public FloatColumn getDistanceRmsDevError()

The error in the distance rmsd.

Returns:

FloatColumn

getCovalentBondRmsDev

public FloatColumn getCovalentBondRmsDev()

The covalent bond rmsd to the target value for the ensemble.

Returns:

FloatColumn

getCovalentBondRmsDevError

public FloatColumn getCovalentBondRmsDevError()

The error in the covalent bond rmsd.

Returns:

FloatColumn

getBondAngleRmsDev

public FloatColumn getBondAngleRmsDev()

The bond angle rmsd to the target values for the ensemble.

Returns:

FloatColumn

getBondAngleRmsDevError

public FloatColumn getBondAngleRmsDevError()

The error in the bond angle rmsd.

Returns:

FloatColumn

getImproperTorsionAngleRmsDev

public FloatColumn getImproperTorsionAngleRmsDev()

The improper torsion angle rmsd to the target values for the ensemble.

Returns:

FloatColumn

getImproperTorsionAngleRmsDevError

public FloatColumn getImproperTorsionAngleRmsDevError()

The error in the improper torsion angle rmsd.

Returns:

FloatColumn

getPeptidePlanarityRmsDev

public FloatColumn getPeptidePlanarityRmsDev()

The peptide planarity rmsd.

Returns:

FloatColumn

getPeptidePlanarityRmsDevError

public FloatColumn getPeptidePlanarityRmsDevError()

The error in the peptide planarity rmsd.

Returns:

FloatColumn

getDihedralAnglesRmsDev

public FloatColumn getDihedralAnglesRmsDev()

The dihedral angle rmsd to the target values for the ensemble.

Returns:

FloatColumn

getDihedralAnglesRmsDevError

public FloatColumn getDihedralAnglesRmsDevError()

The error of the rmsd dihedral angles.

Returns:

FloatColumn

getCoordAverageRmsdMethod

public StrColumn getCoordAverageRmsdMethod()

Describe the method for calculating the coordinate average rmsd.

Returns:

StrColumn