Package org.rcsb.cif.model.generated

Class PdbxNmrConstraints

  • All Implemented Interfaces:
    Category
    @Generated("org.rcsb.cif.generator.SchemaGenerator")
public class PdbxNmrConstraints
extends BaseCategory
    This section provides a tabulation of constraint data.

    • Constructor Detail

      • PdbxNmrConstraints

        public PdbxNmrConstraints​(String name,
                          int rowCount,
                          Object[] encodedColumns)

      • PdbxNmrConstraints

        public PdbxNmrConstraints​(String name)

    • Method Detail

      • 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