Package org.rcsb.cif.model.generated
Class PdbxNmrForceConstants
- java.lang.Object
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- org.rcsb.cif.model.BaseCategory
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- org.rcsb.cif.model.generated.PdbxNmrForceConstants
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- All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.generator.SchemaGenerator") public class PdbxNmrForceConstants extends BaseCategory
The final force constants, including units, employed for the various experimental constraints, covalent geometry constraints, and the non-bonded interaction terms in the target function used for simulated annealing.
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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 PdbxNmrForceConstants(String name)PdbxNmrForceConstants(String name, int rowCount, Object[] encodedColumns)PdbxNmrForceConstants(String name, Map<String,Column> columns)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description FloatColumngetCovalentGeomAnglesTerm()The final force constant for covalent geometry angle constraints term employed in the target function used for simulated annealing.StrColumngetCovalentGeomAnglesTermUnits()The units for the force constant for the covalent geometry angle constraints term.FloatColumngetCovalentGeomBondTerm()The final force constant for the covalent geometry bond length constraints term employed in the target function used for simulated annealing.StrColumngetCovalentGeomBondTermUnits()The units for the force constant for the covalent geometry bond length constraints term.FloatColumngetCovalentGeomImpropersTerm()The final force constant for covalent geometry impropers contstraints term employed in the target function used for simulated annealing.StrColumngetCovalentGeomImpropersTermUnits()The units for the force constant for the covalent geometry impropers constraints term.StrColumngetEntryId()You can leave this blank as an ID will be assigned by the RCSB.FloatColumngetExptl13CShiftTerm()The final force constant for 13C shift constraints term employed in the target function used for simulated annealing.StrColumngetExptl13CShiftTermUnits()The units for the force constant for the 13C shift constraints term.FloatColumngetExptl1HShiftTerm()The final force constant for 1H shift constraints term employed in the target function used for simulated annealing.StrColumngetExptl1HShiftTermUnits()The units for the force constant for the 1H shift constraints term.FloatColumngetExptlDipolarCouplingTerm()The final force constant for dipolar coupling constraint term employed in the target function used for simulated annealing.StrColumngetExptlDipolarCouplingTermUnits()The units for the force constant for the dipolar coupling constraints term.FloatColumngetExptlDIsotopeShiftTerm()The final force constant for Deuterium isotope shift constraints term employed in the target function used for simulated annealing.StrColumngetExptlDIsotopeShiftTermUnits()The units for the force constant for the Deuterium isotope shift constraints term.FloatColumngetExptlDistanceTerm()The final force constant for distance (NOEs) constraints term employed in the target function used for simulated annealing.StrColumngetExptlDistanceTermUnits()The units for the force constant for the distance constraints term.FloatColumngetExptlJCouplingTerm()The final force constant for J coupling term employed in the target function used for simulated annealing.StrColumngetExptlJCouplingTermUnits()The units for the force constant for the J coupling term.FloatColumngetExptlTorsionAnglesTerm()The final force constant for the torsion angle term employed in the target function used for simulated annealing.StrColumngetExptlTorsionAnglesTermUnits()The units for the force constant for the torsion angle constraints term.FloatColumngetNon_bondedInterConfDbPotentialTerm()The force constant used for the non-bonded interaction conformational database potential term employed in the target function used for simulated annealing.FloatColumngetNon_bondedInterRadiusOfGyrationTerm()The force constant used for the non-bonded interaction radius of gyration term employed in the target function used for simulated annealing.StrColumngetNon_bondedInterRadiusOfGyrationTermUnits()The units for the force constant for the radius of gyration term.FloatColumngetNon_bondedInterVanDerWaalsTerm()The force constant used for the non-bonded interaction van der Waals term employed in the target function used for simulated annealing.StrColumngetNon_bondedInterVanDerWaalsTermType()The type of van der Waals term employed in the target function used for simulated annealing.StrColumngetNon_bondedInterVanDerWaalsTermUnits()The units for the force constant for the van der Waals term.-
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()
You can leave this blank as an ID will be assigned by the RCSB.- Returns:
- StrColumn
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getExptlDistanceTerm
public FloatColumn getExptlDistanceTerm()
The final force constant for distance (NOEs) constraints term employed in the target function used for simulated annealing.- Returns:
- FloatColumn
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getExptlDistanceTermUnits
public StrColumn getExptlDistanceTermUnits()
The units for the force constant for the distance constraints term.- Returns:
- StrColumn
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getExptlTorsionAnglesTerm
public FloatColumn getExptlTorsionAnglesTerm()
The final force constant for the torsion angle term employed in the target function used for simulated annealing.- Returns:
- FloatColumn
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getExptlTorsionAnglesTermUnits
public StrColumn getExptlTorsionAnglesTermUnits()
The units for the force constant for the torsion angle constraints term.- Returns:
- StrColumn
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getExptlJCouplingTerm
public FloatColumn getExptlJCouplingTerm()
The final force constant for J coupling term employed in the target function used for simulated annealing.- Returns:
- FloatColumn
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getExptlJCouplingTermUnits
public StrColumn getExptlJCouplingTermUnits()
The units for the force constant for the J coupling term.- Returns:
- StrColumn
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getExptl13CShiftTerm
public FloatColumn getExptl13CShiftTerm()
The final force constant for 13C shift constraints term employed in the target function used for simulated annealing.- Returns:
- FloatColumn
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getExptl13CShiftTermUnits
public StrColumn getExptl13CShiftTermUnits()
The units for the force constant for the 13C shift constraints term.- Returns:
- StrColumn
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getExptl1HShiftTerm
public FloatColumn getExptl1HShiftTerm()
The final force constant for 1H shift constraints term employed in the target function used for simulated annealing.- Returns:
- FloatColumn
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getExptl1HShiftTermUnits
public StrColumn getExptl1HShiftTermUnits()
The units for the force constant for the 1H shift constraints term.- Returns:
- StrColumn
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getExptlDipolarCouplingTerm
public FloatColumn getExptlDipolarCouplingTerm()
The final force constant for dipolar coupling constraint term employed in the target function used for simulated annealing.- Returns:
- FloatColumn
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getExptlDipolarCouplingTermUnits
public StrColumn getExptlDipolarCouplingTermUnits()
The units for the force constant for the dipolar coupling constraints term.- Returns:
- StrColumn
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getExptlDIsotopeShiftTerm
public FloatColumn getExptlDIsotopeShiftTerm()
The final force constant for Deuterium isotope shift constraints term employed in the target function used for simulated annealing.- Returns:
- FloatColumn
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getExptlDIsotopeShiftTermUnits
public StrColumn getExptlDIsotopeShiftTermUnits()
The units for the force constant for the Deuterium isotope shift constraints term.- Returns:
- StrColumn
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getCovalentGeomBondTerm
public FloatColumn getCovalentGeomBondTerm()
The final force constant for the covalent geometry bond length constraints term employed in the target function used for simulated annealing.- Returns:
- FloatColumn
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getCovalentGeomBondTermUnits
public StrColumn getCovalentGeomBondTermUnits()
The units for the force constant for the covalent geometry bond length constraints term.- Returns:
- StrColumn
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getCovalentGeomAnglesTerm
public FloatColumn getCovalentGeomAnglesTerm()
The final force constant for covalent geometry angle constraints term employed in the target function used for simulated annealing.- Returns:
- FloatColumn
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getCovalentGeomAnglesTermUnits
public StrColumn getCovalentGeomAnglesTermUnits()
The units for the force constant for the covalent geometry angle constraints term.- Returns:
- StrColumn
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getCovalentGeomImpropersTerm
public FloatColumn getCovalentGeomImpropersTerm()
The final force constant for covalent geometry impropers contstraints term employed in the target function used for simulated annealing.- Returns:
- FloatColumn
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getCovalentGeomImpropersTermUnits
public StrColumn getCovalentGeomImpropersTermUnits()
The units for the force constant for the covalent geometry impropers constraints term.- Returns:
- StrColumn
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getNon_bondedInterVanDerWaalsTermType
public StrColumn getNon_bondedInterVanDerWaalsTermType()
The type of van der Waals term employed in the target function used for simulated annealing.- Returns:
- StrColumn
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getNon_bondedInterVanDerWaalsTerm
public FloatColumn getNon_bondedInterVanDerWaalsTerm()
The force constant used for the non-bonded interaction van der Waals term employed in the target function used for simulated annealing.- Returns:
- FloatColumn
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getNon_bondedInterVanDerWaalsTermUnits
public StrColumn getNon_bondedInterVanDerWaalsTermUnits()
The units for the force constant for the van der Waals term.- Returns:
- StrColumn
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getNon_bondedInterConfDbPotentialTerm
public FloatColumn getNon_bondedInterConfDbPotentialTerm()
The force constant used for the non-bonded interaction conformational database potential term employed in the target function used for simulated annealing.- Returns:
- FloatColumn
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getNon_bondedInterRadiusOfGyrationTerm
public FloatColumn getNon_bondedInterRadiusOfGyrationTerm()
The force constant used for the non-bonded interaction radius of gyration term employed in the target function used for simulated annealing.- Returns:
- FloatColumn
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getNon_bondedInterRadiusOfGyrationTermUnits
public StrColumn getNon_bondedInterRadiusOfGyrationTermUnits()
The units for the force constant for the radius of gyration term.- Returns:
- StrColumn
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