Package org.rcsb.cif.model.generated
Class PdbxNmrEnsemble
- java.lang.Object
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- org.rcsb.cif.model.BaseCategory
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- org.rcsb.cif.model.generated.PdbxNmrEnsemble
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- All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.generator.SchemaGenerator") public class PdbxNmrEnsemble extends BaseCategory
This category contains the information that describes the ensemble of deposited structures. If only an average structure has been deposited skip this section.
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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 PdbxNmrEnsemble(String name)PdbxNmrEnsemble(String name, int rowCount, Object[] encodedColumns)PdbxNmrEnsemble(String name, Map<String,Column> columns)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description IntColumngetAverageConstraintsPerResidue()The average number of constraints per residue for the ensembleIntColumngetAverageConstraintViolationsPerResidue()The average number of constraint violations on a per residue basis for the ensemble.FloatColumngetAverageDistanceConstraintViolation()The average distance restraint violation for the ensemble.FloatColumngetAverageTorsionAngleConstraintViolation()The average torsion angle constraint violation for the ensemble.IntColumngetConformersCalculatedTotalNumber()The total number of conformer (models) that were calculated in the final round.StrColumngetConformerSelectionCriteria()By highlighting the appropriate choice(s), describe how the submitted conformer (models) were selected.IntColumngetConformersSubmittedTotalNumber()The number of conformer (models) that are submitted for the ensemble.StrColumngetDistanceConstraintViolationMethod()Describe the method used to calculate the distance constraint violation statistics, i.e.StrColumngetEntryId()Leave this blank as the ID is provided by the MSDFloatColumngetMaximumDistanceConstraintViolation()The maximum distance constraint violation for the ensemble.FloatColumngetMaximumLowerDistanceConstraintViolation()The maximum lower distance constraint violation for the ensemble.FloatColumngetMaximumTorsionAngleConstraintViolation()The maximum torsion angle constraint violation for the ensemble.FloatColumngetMaximumUpperDistanceConstraintViolation()The maximum upper distance constraint violation for the ensemble.IntColumngetRepresentativeConformer()The number of the conformer identified as most representative.StrColumngetTorsionAngleConstraintViolationMethod()This item describes the method used to calculate the torsion angle constraint violation statistics.-
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()
Leave this blank as the ID is provided by the MSD- Returns:
- StrColumn
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getConformersCalculatedTotalNumber
public IntColumn getConformersCalculatedTotalNumber()
The total number of conformer (models) that were calculated in the final round.- Returns:
- IntColumn
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getConformersSubmittedTotalNumber
public IntColumn getConformersSubmittedTotalNumber()
The number of conformer (models) that are submitted for the ensemble.- Returns:
- IntColumn
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getConformerSelectionCriteria
public StrColumn getConformerSelectionCriteria()
By highlighting the appropriate choice(s), describe how the submitted conformer (models) were selected.- Returns:
- StrColumn
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getRepresentativeConformer
public IntColumn getRepresentativeConformer()
The number of the conformer identified as most representative.- Returns:
- IntColumn
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getAverageConstraintsPerResidue
public IntColumn getAverageConstraintsPerResidue()
The average number of constraints per residue for the ensemble- Returns:
- IntColumn
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getAverageConstraintViolationsPerResidue
public IntColumn getAverageConstraintViolationsPerResidue()
The average number of constraint violations on a per residue basis for the ensemble.- Returns:
- IntColumn
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getMaximumDistanceConstraintViolation
public FloatColumn getMaximumDistanceConstraintViolation()
The maximum distance constraint violation for the ensemble.- Returns:
- FloatColumn
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getAverageDistanceConstraintViolation
public FloatColumn getAverageDistanceConstraintViolation()
The average distance restraint violation for the ensemble.- Returns:
- FloatColumn
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getMaximumUpperDistanceConstraintViolation
public FloatColumn getMaximumUpperDistanceConstraintViolation()
The maximum upper distance constraint violation for the ensemble.- Returns:
- FloatColumn
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getMaximumLowerDistanceConstraintViolation
public FloatColumn getMaximumLowerDistanceConstraintViolation()
The maximum lower distance constraint violation for the ensemble.- Returns:
- FloatColumn
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getDistanceConstraintViolationMethod
public StrColumn getDistanceConstraintViolationMethod()
Describe the method used to calculate the distance constraint violation statistics, i.e. are they calculated over all the distance constraints or calculated for violations only?- Returns:
- StrColumn
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getMaximumTorsionAngleConstraintViolation
public FloatColumn getMaximumTorsionAngleConstraintViolation()
The maximum torsion angle constraint violation for the ensemble.- Returns:
- FloatColumn
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getAverageTorsionAngleConstraintViolation
public FloatColumn getAverageTorsionAngleConstraintViolation()
The average torsion angle constraint violation for the ensemble.- Returns:
- FloatColumn
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getTorsionAngleConstraintViolationMethod
public StrColumn getTorsionAngleConstraintViolationMethod()
This item describes the method used to calculate the torsion angle constraint violation statistics. i.e. are the entered values based on all torsion angle or calculated for violations only?- Returns:
- StrColumn
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