Class GeomHbond

  • All Implemented Interfaces:
    Category

    @Generated("org.rcsb.cif.generator.SchemaGenerator")
    public class GeomHbond
    extends BaseCategory
    Data items in the GEOM_HBOND category record details about hydrogen bonds as calculated from the contents of the ATOM, CELL and SYMMETRY data.
    • Constructor Detail

      • GeomHbond

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

        public GeomHbond​(String name)
    • Method Detail

      • getAngleDHA

        public FloatColumn getAngleDHA()
        The angle in degrees defined by the donor-, hydrogen- and acceptor-atom sites in a hydrogen bond.
        Returns:
        FloatColumn
      • getAngleDHAEsd

        public FloatColumn getAngleDHAEsd()
        The standard uncertainty (estimated standard deviation) of _geom_hbond.angle_DHA.
        Returns:
        FloatColumn
      • getAtomSiteIdA

        public StrColumn getAtomSiteIdA()
        The identifier of the acceptor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteLabelAltIdA

        public StrColumn getAtomSiteLabelAltIdA()
        An optional identifier of the acceptor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteLabelAsymIdA

        public StrColumn getAtomSiteLabelAsymIdA()
        An optional identifier of the acceptor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteLabelAtomIdA

        public StrColumn getAtomSiteLabelAtomIdA()
        An optional identifier of the acceptor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.label_atom_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteLabelCompIdA

        public StrColumn getAtomSiteLabelCompIdA()
        An optional identifier of the acceptor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteLabelSeqIdA

        public IntColumn getAtomSiteLabelSeqIdA()
        An optional identifier of the acceptor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
        Returns:
        IntColumn
      • getAtomSiteIdD

        public StrColumn getAtomSiteIdD()
        The identifier of the donor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteLabelAltIdD

        public StrColumn getAtomSiteLabelAltIdD()
        An optional identifier of the donor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteLabelAsymIdD

        public StrColumn getAtomSiteLabelAsymIdD()
        An optional identifier of the donor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteLabelAtomIdD

        public StrColumn getAtomSiteLabelAtomIdD()
        An optional identifier of the donor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.label_atom_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteLabelCompIdD

        public StrColumn getAtomSiteLabelCompIdD()
        An optional identifier of the donor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteLabelSeqIdD

        public IntColumn getAtomSiteLabelSeqIdD()
        An optional identifier of the donor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
        Returns:
        IntColumn
      • getAtomSiteIdH

        public StrColumn getAtomSiteIdH()
        The identifier of the hydrogen-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteLabelAltIdH

        public StrColumn getAtomSiteLabelAltIdH()
        An optional identifier of the hydrogen-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.label_alt_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteLabelAsymIdH

        public StrColumn getAtomSiteLabelAsymIdH()
        An optional identifier of the hydrogen-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.label_asym_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteLabelAtomIdH

        public StrColumn getAtomSiteLabelAtomIdH()
        An optional identifier of the hydrogen-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.label_atom_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteLabelCompIdH

        public StrColumn getAtomSiteLabelCompIdH()
        An optional identifier of the hydrogen-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.label_comp_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteLabelSeqIdH

        public IntColumn getAtomSiteLabelSeqIdH()
        An optional identifier of the hydrogen-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.label_seq_id in the ATOM_SITE category.
        Returns:
        IntColumn
      • getAtomSiteAuthAsymIdA

        public StrColumn getAtomSiteAuthAsymIdA()
        An optional identifier of the acceptor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteAuthAtomIdA

        public StrColumn getAtomSiteAuthAtomIdA()
        An optional identifier of the acceptor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteAuthCompIdA

        public StrColumn getAtomSiteAuthCompIdA()
        An optional identifier of the acceptor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteAuthSeqIdA

        public StrColumn getAtomSiteAuthSeqIdA()
        An optional identifier of the acceptor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteAuthAsymIdD

        public StrColumn getAtomSiteAuthAsymIdD()
        An optional identifier of the donor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteAuthAtomIdD

        public StrColumn getAtomSiteAuthAtomIdD()
        An optional identifier of the donor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteAuthCompIdD

        public StrColumn getAtomSiteAuthCompIdD()
        An optional identifier of the donor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteAuthSeqIdD

        public StrColumn getAtomSiteAuthSeqIdD()
        An optional identifier of the donor-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteAuthAsymIdH

        public StrColumn getAtomSiteAuthAsymIdH()
        An optional identifier of the hydrogen-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.auth_asym_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteAuthAtomIdH

        public StrColumn getAtomSiteAuthAtomIdH()
        An optional identifier of the hydrogen-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.auth_atom_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteAuthCompIdH

        public StrColumn getAtomSiteAuthCompIdH()
        An optional identifier of the hydrogen-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.auth_comp_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getAtomSiteAuthSeqIdH

        public StrColumn getAtomSiteAuthSeqIdH()
        An optional identifier of the hydrogen-atom site that defines the hydrogen bond. This data item is a pointer to _atom_site.auth_seq_id in the ATOM_SITE category.
        Returns:
        StrColumn
      • getDistDA

        public FloatColumn getDistDA()
        The distance in angstroms between the donor- and acceptor-atom sites in a hydrogen bond.
        Returns:
        FloatColumn
      • getDistDAEsd

        public FloatColumn getDistDAEsd()
        The standard uncertainty (estimated standard deviation) in angstroms of _geom_hbond.dist_DA.
        Returns:
        FloatColumn
      • getDistDH

        public FloatColumn getDistDH()
        The distance in angstroms between the donor- and hydrogen-atom sites in a hydrogen bond.
        Returns:
        FloatColumn
      • getDistDHEsd

        public FloatColumn getDistDHEsd()
        The standard uncertainty (estimated standard deviation) in angstroms of _geom_hbond.dist_DH.
        Returns:
        FloatColumn
      • getDistHA

        public FloatColumn getDistHA()
        The distance in angstroms between the hydrogen- and acceptor- atom sites in a hydrogen bond.
        Returns:
        FloatColumn
      • getDistHAEsd

        public FloatColumn getDistHAEsd()
        The standard uncertainty (estimated standard deviation) in angstroms of _geom_hbond.dist_HA.
        Returns:
        FloatColumn
      • getPublFlag

        public StrColumn getPublFlag()
        This code signals whether the hydrogen-bond information is referred to in a publication or should be placed in a table of significant hydrogen-bond geometry.
        Returns:
        StrColumn
      • getSiteSymmetryA

        public StrColumn getSiteSymmetryA()
        The symmetry code of the acceptor-atom site that defines the hydrogen bond.
        Returns:
        StrColumn
      • getSiteSymmetryD

        public StrColumn getSiteSymmetryD()
        The symmetry code of the donor-atom site that defines the hydrogen bond.
        Returns:
        StrColumn
      • getSiteSymmetryH

        public StrColumn getSiteSymmetryH()
        The symmetry code of the hydrogen-atom site that defines the hydrogen bond.
        Returns:
        StrColumn