Class PdbxDccGeometry

  • All Implemented Interfaces:
    Category

    @Generated("org.rcsb.cif.generator.SchemaGenerator")
    public class PdbxDccGeometry
    extends BaseCategory
    Data items in the category record the overall deviations about geometry (such as bond length, angle, dihedral, chirality, planarity). These data are calculated with the phenix module model_vs_data.
    • Constructor Detail

      • PdbxDccGeometry

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

        public PdbxDccGeometry​(String name)
    • Method Detail

      • getPdbid

        public StrColumn getPdbid()
        The PDB id code.
        Returns:
        StrColumn
      • getRamachandranOutlierPercent

        public FloatColumn getRamachandranOutlierPercent()
        Percentage of outliers in Ramachandran plot.
        Returns:
        FloatColumn
      • getRamachandranOutlierNumber

        public IntColumn getRamachandranOutlierNumber()
        Number of outliers in Ramachandran plot.
        Returns:
        IntColumn
      • getRamachandranAllowedPercent

        public FloatColumn getRamachandranAllowedPercent()
        Percentage of allowed residues in Ramachandran plot.
        Returns:
        FloatColumn
      • getRamachandranAllowedNumber

        public IntColumn getRamachandranAllowedNumber()
        Number of allowed residues in Ramachandran plot.
        Returns:
        IntColumn
      • getRamachandranFavoredPercent

        public FloatColumn getRamachandranFavoredPercent()
        Percentage of favored residues in Ramachandran plot.
        Returns:
        FloatColumn
      • getRamachandranFavoredNumber

        public IntColumn getRamachandranFavoredNumber()
        Number of favored residues in Ramachandran plot.
        Returns:
        IntColumn
      • getRotamerOutliersPercent

        public FloatColumn getRotamerOutliersPercent()
        Percentage of rotamer outliers.
        Returns:
        FloatColumn
      • getRotamerOutliersNumber

        public IntColumn getRotamerOutliersNumber()
        Number of rotamer outliers.
        Returns:
        IntColumn
      • getCbetaDeviations

        public IntColumn getCbetaDeviations()
        Number of Cbeta deviations >0.25A.
        Returns:
        IntColumn
      • getAllAtomClashscore

        public FloatColumn getAllAtomClashscore()
        All atom score is determined by steric overlaps >0.4A per 1000 atoms.
        Returns:
        FloatColumn
      • getOverallScore

        public FloatColumn getOverallScore()
        The overall score for the geometry (the smaller the better).
        Returns:
        FloatColumn
      • getBondOverallRms

        public FloatColumn getBondOverallRms()
        The overall root mean square deviation for bond lengths (all atoms).
        Returns:
        FloatColumn
      • getBondOverallMax

        public FloatColumn getBondOverallMax()
        The maximum root mean square deviation for bond lengths (all atoms).
        Returns:
        FloatColumn
      • getBondLigandRms

        public FloatColumn getBondLigandRms()
        The overall root mean square deviation for bond lengths (ligand only).
        Returns:
        FloatColumn
      • getBondLigandMax

        public FloatColumn getBondLigandMax()
        The maximum root mean square deviation for bond lengths (ligand only).
        Returns:
        FloatColumn
      • getAngleOverallRms

        public FloatColumn getAngleOverallRms()
        The overall root mean square deviation for bond angles (all atoms).
        Returns:
        FloatColumn
      • getAngleOverallMax

        public FloatColumn getAngleOverallMax()
        The maximum root mean square deviation for bond angles (all atoms).
        Returns:
        FloatColumn
      • getAngleLigandRms

        public FloatColumn getAngleLigandRms()
        The overall root mean square deviation for bond angles (ligand only).
        Returns:
        FloatColumn
      • getAngleLigandMax

        public FloatColumn getAngleLigandMax()
        The maximum root mean square deviation for bond angles (ligand only).
        Returns:
        FloatColumn
      • getDihedralOverallRms

        public FloatColumn getDihedralOverallRms()
        The overall root mean square deviation for dihedrals (all atoms).
        Returns:
        FloatColumn
      • getDihedralOverallMax

        public FloatColumn getDihedralOverallMax()
        The maximum root mean square deviation for dihedrals (all atoms).
        Returns:
        FloatColumn
      • getChiralityOverallRms

        public FloatColumn getChiralityOverallRms()
        The overall root mean square deviation for chirality (all atoms).
        Returns:
        FloatColumn
      • getChiralityOverallMax

        public FloatColumn getChiralityOverallMax()
        The maximum root mean square deviation for chirality (all atoms).
        Returns:
        FloatColumn
      • getPlanarityOverallRms

        public FloatColumn getPlanarityOverallRms()
        The overall root mean square deviation for planarity (all atoms).
        Returns:
        FloatColumn
      • getPlanarityOverallMax

        public FloatColumn getPlanarityOverallMax()
        The maximum root mean square deviation for planarity (all atoms).
        Returns:
        FloatColumn
      • getNon_bondedRms

        public FloatColumn getNon_bondedRms()
        The overall on-bonded distance (all atoms).
        Returns:
        FloatColumn