Class PdbxNmrEnsembleRms

  • All Implemented Interfaces:
    Category

    @Generated("org.rcsb.cif.generator.SchemaGenerator")
    public class PdbxNmrEnsembleRms
    extends BaseCategory
    Structural statistics are derived from molecular dynamics and simulated annealing programs.
    • Constructor Detail

      • PdbxNmrEnsembleRms

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

        public PdbxNmrEnsembleRms​(String name)
    • Method Detail

      • getEntryId

        public StrColumn getEntryId()
        '?'
        Returns:
        StrColumn
      • getResidueRangeBegin

        public IntColumn getResidueRangeBegin()
        Structure statistics are often calculated only over the well-ordered region(s) of the biopolymer. Portions of the macromolecule are often mobile and disordered, hence they are excluded in calculating the statistics. To define the range(s) over which the statistics are calculated, enter the beginning residue number(s): e.g. if the regions used were 5-32 and 41-69, enter 5,41
        Returns:
        IntColumn
      • getChainRangeBegin

        public StrColumn getChainRangeBegin()
        The beginning chain id.
        Returns:
        StrColumn
      • getResidueRangeEnd

        public IntColumn getResidueRangeEnd()
        The ending residue number: e.g. 32,69.
        Returns:
        IntColumn
      • getChainRangeEnd

        public StrColumn getChainRangeEnd()
        The ending chain id:
        Returns:
        StrColumn
      • getAtomType

        public StrColumn getAtomType()
        Statistics are often calculated over only some of the atoms, e.g. backbone, or heavy atoms. Describe which type of atoms are used for the statistical analysis.
        Returns:
        StrColumn
      • getDistanceRmsDev

        public FloatColumn getDistanceRmsDev()
        The distance rmsd to the mean structure for the ensemble of structures.
        Returns:
        FloatColumn
      • getDistanceRmsDevError

        public FloatColumn getDistanceRmsDevError()
        The error in the distance rmsd.
        Returns:
        FloatColumn
      • getCovalentBondRmsDev

        public FloatColumn getCovalentBondRmsDev()
        The covalent bond rmsd to the target value for the ensemble.
        Returns:
        FloatColumn
      • getCovalentBondRmsDevError

        public FloatColumn getCovalentBondRmsDevError()
        The error in the covalent bond rmsd.
        Returns:
        FloatColumn
      • getBondAngleRmsDev

        public FloatColumn getBondAngleRmsDev()
        The bond angle rmsd to the target values for the ensemble.
        Returns:
        FloatColumn
      • getBondAngleRmsDevError

        public FloatColumn getBondAngleRmsDevError()
        The error in the bond angle rmsd.
        Returns:
        FloatColumn
      • getImproperTorsionAngleRmsDev

        public FloatColumn getImproperTorsionAngleRmsDev()
        The improper torsion angle rmsd to the target values for the ensemble.
        Returns:
        FloatColumn
      • getImproperTorsionAngleRmsDevError

        public FloatColumn getImproperTorsionAngleRmsDevError()
        The error in the improper torsion angle rmsd.
        Returns:
        FloatColumn
      • getPeptidePlanarityRmsDev

        public FloatColumn getPeptidePlanarityRmsDev()
        The peptide planarity rmsd.
        Returns:
        FloatColumn
      • getPeptidePlanarityRmsDevError

        public FloatColumn getPeptidePlanarityRmsDevError()
        The error in the peptide planarity rmsd.
        Returns:
        FloatColumn
      • getDihedralAnglesRmsDev

        public FloatColumn getDihedralAnglesRmsDev()
        The dihedral angle rmsd to the target values for the ensemble.
        Returns:
        FloatColumn
      • getDihedralAnglesRmsDevError

        public FloatColumn getDihedralAnglesRmsDevError()
        The error of the rmsd dihedral angles.
        Returns:
        FloatColumn
      • getCoordAverageRmsdMethod

        public StrColumn getCoordAverageRmsdMethod()
        Describe the method for calculating the coordinate average rmsd.
        Returns:
        StrColumn