Package org.rcsb.cif.schema.mm

Class PdbxNmrForceConstants

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory
org.rcsb.cif.schema.mm.PdbxNmrForceConstants
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class PdbxNmrForceConstants
extends DelegatingCategory
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.

  • Constructor Details

  • 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 RCSB.
      Returns:
      StrColumn

    • getExptlDistanceTerm

      public FloatColumn getExptlDistanceTerm()
      The final force constant for distance (NOEs) constraints term employed in the target function used for simulated annealing.
      Returns:
      FloatColumn

    • getExptlDistanceTermUnits

      public StrColumn getExptlDistanceTermUnits()
      The units for the force constant for the distance constraints term.
      Returns:
      StrColumn

    • getExptlTorsionAnglesTerm

      public FloatColumn getExptlTorsionAnglesTerm()
      The final force constant for the torsion angle term employed in the target function used for simulated annealing.
      Returns:
      FloatColumn

    • getExptlTorsionAnglesTermUnits

      public StrColumn getExptlTorsionAnglesTermUnits()
      The units for the force constant for the torsion angle constraints term.
      Returns:
      StrColumn

    • getExptlJCouplingTerm

      public FloatColumn getExptlJCouplingTerm()
      The final force constant for J coupling term employed in the target function used for simulated annealing.
      Returns:
      FloatColumn

    • getExptlJCouplingTermUnits

      public StrColumn getExptlJCouplingTermUnits()
      The units for the force constant for the J coupling term.
      Returns:
      StrColumn

    • getExptl13CShiftTerm

      public FloatColumn getExptl13CShiftTerm()
      The final force constant for 13C shift constraints term employed in the target function used for simulated annealing.
      Returns:
      FloatColumn

    • getExptl13CShiftTermUnits

      public StrColumn getExptl13CShiftTermUnits()
      The units for the force constant for the 13C shift constraints term.
      Returns:
      StrColumn

    • getExptl1HShiftTerm

      public FloatColumn getExptl1HShiftTerm()
      The final force constant for 1H shift constraints term employed in the target function used for simulated annealing.
      Returns:
      FloatColumn

    • getExptl1HShiftTermUnits

      public StrColumn getExptl1HShiftTermUnits()
      The units for the force constant for the 1H shift constraints term.
      Returns:
      StrColumn

    • getExptlDipolarCouplingTerm

      public FloatColumn getExptlDipolarCouplingTerm()
      The final force constant for dipolar coupling constraint term employed in the target function used for simulated annealing.
      Returns:
      FloatColumn

    • getExptlDipolarCouplingTermUnits

      public StrColumn getExptlDipolarCouplingTermUnits()
      The units for the force constant for the dipolar coupling constraints term.
      Returns:
      StrColumn

    • 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

    • getExptlDIsotopeShiftTermUnits

      public StrColumn getExptlDIsotopeShiftTermUnits()
      The units for the force constant for the Deuterium isotope shift constraints term.
      Returns:
      StrColumn

    • 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

    • getCovalentGeomBondTermUnits

      public StrColumn getCovalentGeomBondTermUnits()
      The units for the force constant for the covalent geometry bond length constraints term.
      Returns:
      StrColumn

    • 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

    • getCovalentGeomAnglesTermUnits

      public StrColumn getCovalentGeomAnglesTermUnits()
      The units for the force constant for the covalent geometry angle constraints term.
      Returns:
      StrColumn

    • 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

    • getCovalentGeomImpropersTermUnits

      public StrColumn getCovalentGeomImpropersTermUnits()
      The units for the force constant for the covalent geometry impropers constraints term.
      Returns:
      StrColumn

    • getNon_bondedInterVanDerWaalsTermType

      public StrColumn getNon_bondedInterVanDerWaalsTermType()
      The type of van der Waals term employed in the target function used for simulated annealing.
      Returns:
      StrColumn

    • 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

    • getNon_bondedInterVanDerWaalsTermUnits

      public StrColumn getNon_bondedInterVanDerWaalsTermUnits()
      The units for the force constant for the van der Waals term.
      Returns:
      StrColumn

    • 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

    • 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

    • getNon_bondedInterRadiusOfGyrationTermUnits

      public StrColumn getNon_bondedInterRadiusOfGyrationTermUnits()
      The units for the force constant for the radius of gyration term.
      Returns:
      StrColumn