Package org.rcsb.cif.schema.mm

Class PdbxNmrConstraints

java.lang.Object

org.rcsb.cif.schema.DelegatingCategory

org.rcsb.cif.schema.mm.PdbxNmrConstraints

All Implemented Interfaces:

Category

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

This section provides a tabulation of constraint data.

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
PdbxNmrConstraints(Category delegate)

Method Summary

Modifier and Type	Method	Description
protected Column	createDelegate(String columnName, Column column)
IntColumn	getDisulfideBondConstraintsTotalCount()	The total number of disulfide bond constraints used in the final structure calculation.
StrColumn	getEntryId()	You can leave this blank as an ID will be assigned by the MSD to the constraint file.
IntColumn	getHydrogenBondConstraintsTotalCount()	The total number of hydrogen bond constraints used in the final structure calculation.
IntColumn	getNAAlpha_angleConstraintsTotalCount()	The total number of nucleic acid alpha-angle constraints used in the final structure calculation.
IntColumn	getNABeta_angleConstraintsTotalCount()	The total number of nucleic acid beta-angle constraints used in the final structure calculation.
IntColumn	getNAChi_angleConstraintsTotalCount()	The total number of nucleic acid chi-angle constraints used in the final structure calculation.
IntColumn	getNADelta_angleConstraintsTotalCount()	The total number of nucleic acid delta-angle constraints used in the final structure calculation.
IntColumn	getNAEpsilon_angleConstraintsTotalCount()	The total number of nucleic acid epsilon-angle constraints used in the final structure calculation.
IntColumn	getNAGamma_angleConstraintsTotalCount()	The total number of nucleic acid gamma-angle constraints used in the final structure calculation.
IntColumn	getNAOther_angleConstraintsTotalCount()	The total number of nucleic acid other-angle constraints used in the final structure calculation.
IntColumn	getNASugarPuckerConstraintsTotalCount()	The total number of nucleic acid sugar pucker constraints used in the final structure calculation.
IntColumn	getNOEConstraintsTotal()	The total number of all NOE constraints used in the final structure calculation.
IntColumn	getNOEInterentityTotalCount()	The total number of interentity, NOE constraints used in the final structure calculation.
StrColumn	getNOEInterprotonDistanceEvaluation()	Describe the method used to quantify the NOE and ROE values.
IntColumn	getNOEIntraresidueTotalCount()	The total number of all intraresidue, [i-j]=0, NOE constraints used in the final structure calculation.
IntColumn	getNOELongRangeTotalCount()	The total number of long range [i-j]>5 NOE constraints used in the final structure calculation.
IntColumn	getNOEMediumRangeTotalCount()	The total number of medium range 1<[i-j]<=5 NOE constraints used in the final structure calculation.
StrColumn	getNOEMotionalAveragingCorrection()	Describe any corrections that were made to the NOE data for motional averaging.
StrColumn	getNOEPseudoatomCorrections()	Describe any corrections made for pseudoatoms
IntColumn	getNOESequentialTotalCount()	The total number of sequential, [i-j]=1, NOE constraints used in the final structure calculation.
IntColumn	getProteinChiAngleConstraintsTotalCount()	The total number of chi angle constraints used in the final structure calculation.
IntColumn	getProteinOtherAngleConstraintsTotalCount()	The total number of other angle constraints used in the final structure calculation.
IntColumn	getProteinPhiAngleConstraintsTotalCount()	The total number of phi angle constraints used in the final structure calculation
IntColumn	getProteinPsiAngleConstraintsTotalCount()	The total number of psi angle constraints used in the final structure calculation.

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

PdbxNmrConstraints

public PdbxNmrConstraints(Category delegate)

Method Details

createDelegate

protected Column createDelegate(String columnName, Column column)

Overrides:

createDelegate in class DelegatingCategory

getEntryId

public StrColumn getEntryId()

You can leave this blank as an ID will be assigned by the MSD to the constraint file.

Returns:

StrColumn

getNOEConstraintsTotal

public IntColumn getNOEConstraintsTotal()

The total number of all NOE constraints used in the final structure calculation.

Returns:

IntColumn

getNOEIntraresidueTotalCount

public IntColumn getNOEIntraresidueTotalCount()

The total number of all intraresidue, [i-j]=0, NOE constraints used in the final structure calculation.

Returns:

IntColumn

getNOEInterentityTotalCount

public IntColumn getNOEInterentityTotalCount()

The total number of interentity, NOE constraints used in the final structure calculation. This field should only be if system is complex -i.e more than one entity e.g. a dimer or ligand-protein complex

Returns:

IntColumn

getNOESequentialTotalCount

public IntColumn getNOESequentialTotalCount()

The total number of sequential, [i-j]=1, NOE constraints used in the final structure calculation.

Returns:

IntColumn

getNOEMediumRangeTotalCount

public IntColumn getNOEMediumRangeTotalCount()

The total number of medium range 1<[i-j]<=5 NOE constraints used in the final structure calculation.

Returns:

IntColumn

getNOELongRangeTotalCount

public IntColumn getNOELongRangeTotalCount()

The total number of long range [i-j]>5 NOE constraints used in the final structure calculation.

Returns:

IntColumn

getProteinPhiAngleConstraintsTotalCount

public IntColumn getProteinPhiAngleConstraintsTotalCount()

The total number of phi angle constraints used in the final structure calculation

Returns:

IntColumn

getProteinPsiAngleConstraintsTotalCount

public IntColumn getProteinPsiAngleConstraintsTotalCount()

The total number of psi angle constraints used in the final structure calculation.

Returns:

IntColumn

getProteinChiAngleConstraintsTotalCount

public IntColumn getProteinChiAngleConstraintsTotalCount()

The total number of chi angle constraints used in the final structure calculation.

Returns:

IntColumn

getProteinOtherAngleConstraintsTotalCount

public IntColumn getProteinOtherAngleConstraintsTotalCount()

The total number of other angle constraints used in the final structure calculation.

Returns:

IntColumn

getNOEInterprotonDistanceEvaluation

public StrColumn getNOEInterprotonDistanceEvaluation()

Describe the method used to quantify the NOE and ROE values.

Returns:

StrColumn

getNOEPseudoatomCorrections

public StrColumn getNOEPseudoatomCorrections()

Describe any corrections made for pseudoatoms

Returns:

StrColumn

getNOEMotionalAveragingCorrection

public StrColumn getNOEMotionalAveragingCorrection()

Describe any corrections that were made to the NOE data for motional averaging.

Returns:

StrColumn

getHydrogenBondConstraintsTotalCount

public IntColumn getHydrogenBondConstraintsTotalCount()

The total number of hydrogen bond constraints used in the final structure calculation.

Returns:

IntColumn

getDisulfideBondConstraintsTotalCount

public IntColumn getDisulfideBondConstraintsTotalCount()

The total number of disulfide bond constraints used in the final structure calculation.

Returns:

IntColumn

getNAAlpha_angleConstraintsTotalCount

public IntColumn getNAAlpha_angleConstraintsTotalCount()

The total number of nucleic acid alpha-angle constraints used in the final structure calculation.

Returns:

IntColumn

getNABeta_angleConstraintsTotalCount

public IntColumn getNABeta_angleConstraintsTotalCount()

The total number of nucleic acid beta-angle constraints used in the final structure calculation.

Returns:

IntColumn

getNAGamma_angleConstraintsTotalCount

public IntColumn getNAGamma_angleConstraintsTotalCount()

The total number of nucleic acid gamma-angle constraints used in the final structure calculation.

Returns:

IntColumn

getNADelta_angleConstraintsTotalCount

public IntColumn getNADelta_angleConstraintsTotalCount()

The total number of nucleic acid delta-angle constraints used in the final structure calculation.

Returns:

IntColumn

getNAEpsilon_angleConstraintsTotalCount

public IntColumn getNAEpsilon_angleConstraintsTotalCount()

The total number of nucleic acid epsilon-angle constraints used in the final structure calculation.

Returns:

IntColumn

getNAChi_angleConstraintsTotalCount

public IntColumn getNAChi_angleConstraintsTotalCount()

The total number of nucleic acid chi-angle constraints used in the final structure calculation.

Returns:

IntColumn

getNAOther_angleConstraintsTotalCount

public IntColumn getNAOther_angleConstraintsTotalCount()

The total number of nucleic acid other-angle constraints used in the final structure calculation.

Returns:

IntColumn

getNASugarPuckerConstraintsTotalCount

public IntColumn getNASugarPuckerConstraintsTotalCount()

The total number of nucleic acid sugar pucker constraints used in the final structure calculation.

Returns:

IntColumn