Package org.rcsb.cif.schema.core

Class GeomHbond

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory.DelegatingCifCoreCategory
org.rcsb.cif.schema.core.GeomHbond
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class GeomHbond
extends DelegatingCategory.DelegatingCifCoreCategory
The CATEGORY of data items used to specify the hydrogen bond distances in the structural model as derived from atomic sites.

  • Constructor Details

  • Method Details

    • getAngleDHA

      public FloatColumn getAngleDHA()
      Angle subtended by the sites identified by _geom_hbond.id. The hydrogen at site H is at the apex of the angle.
      Returns:
      FloatColumn

    • getId

      public StrColumn getId()
      An identifier for the hydrogen bond that is unique within the loop.
      Returns:
      StrColumn

    • 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 set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z
      Returns:
      StrColumn

    • getSiteSymmetryD

      public StrColumn getSiteSymmetryD()
      The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z
      Returns:
      StrColumn

    • getSiteSymmetryH

      public StrColumn getSiteSymmetryH()
      The set of data items which specify the symmetry operation codes which must be applied to the atom sites involved in the geometry angle. The symmetry code of each atom site as the symmetry-equivalent position number 'n' and the cell translation number 'pqr'. These numbers are combined to form the code 'n pqr' or n_pqr. The character string n_pqr is composed as follows: n refers to the symmetry operation that is applied to the coordinates stored in _atom_site.fract_xyz. It must match a number given in _symmetry_equiv.pos_site_id. p, q and r refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used in calculating the angle. These translations (x,y,z) are related to (p,q,r) by the relations p = 5 + x q = 5 + y r = 5 + z
      Returns:
      StrColumn

    • getAngleDHAEsd

      public FloatColumn getAngleDHAEsd()
      The standard uncertainty of the angle subtended by the sites identified by _geom_hbond.id. The hydrogen at site H is at the apex of the angle.
      Returns:
      FloatColumn

    • getAngleDHASu

      public FloatColumn getAngleDHASu()
      The standard uncertainty of the angle subtended by the sites identified by _geom_hbond.id. The hydrogen at site H is at the apex of the angle.
      Returns:
      FloatColumn

    • getAtomSiteIdA

      public StrColumn getAtomSiteIdA()
      This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell.
      Returns:
      StrColumn

    • getAtomSiteLabelA

      public StrColumn getAtomSiteLabelA()
      This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell.
      Returns:
      StrColumn

    • getAtomSiteIdD

      public StrColumn getAtomSiteIdD()
      This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell.
      Returns:
      StrColumn

    • getAtomSiteLabelD

      public StrColumn getAtomSiteLabelD()
      This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell.
      Returns:
      StrColumn

    • getAtomSiteIdH

      public StrColumn getAtomSiteIdH()
      This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell.
      Returns:
      StrColumn

    • getAtomSiteLabelH

      public StrColumn getAtomSiteLabelH()
      This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell.
      Returns:
      StrColumn

    • getDistDA

      public FloatColumn getDistDA()
      The set of data items which specify the distance between the three atom sites identified by _geom_hbond.id.
      Returns:
      FloatColumn

    • getDistanceDA

      public FloatColumn getDistanceDA()
      The set of data items which specify the distance between the three atom sites identified by _geom_hbond.id.
      Returns:
      FloatColumn

    • getDistDAEsd

      public FloatColumn getDistDAEsd()
      Standard Uncertainty of the set of data items which specify the distance between the three atom sites identified by _geom_hbond.id.
      Returns:
      FloatColumn

    • getDistanceDASu

      public FloatColumn getDistanceDASu()
      Standard Uncertainty of the set of data items which specify the distance between the three atom sites identified by _geom_hbond.id.
      Returns:
      FloatColumn

    • getDistDH

      public FloatColumn getDistDH()
      The set of data items which specify the distance between the three atom sites identified by _geom_hbond.id.
      Returns:
      FloatColumn

    • getDistanceDH

      public FloatColumn getDistanceDH()
      The set of data items which specify the distance between the three atom sites identified by _geom_hbond.id.
      Returns:
      FloatColumn

    • getDistDHEsd

      public FloatColumn getDistDHEsd()
      Standard Uncertainty of the set of data items which specify the distance between the three atom sites identified by _geom_hbond.id.
      Returns:
      FloatColumn

    • getDistanceDHSu

      public FloatColumn getDistanceDHSu()
      Standard Uncertainty of the set of data items which specify the distance between the three atom sites identified by _geom_hbond.id.
      Returns:
      FloatColumn

    • getDistHA

      public FloatColumn getDistHA()
      The set of data items which specify the distance between the three atom sites identified by _geom_hbond.id.
      Returns:
      FloatColumn

    • getDistanceHA

      public FloatColumn getDistanceHA()
      The set of data items which specify the distance between the three atom sites identified by _geom_hbond.id.
      Returns:
      FloatColumn

    • getDistHAEsd

      public FloatColumn getDistHAEsd()
      Standard Uncertainty of the set of data items which specify the distance between the three atom sites identified by _geom_hbond.id.
      Returns:
      FloatColumn

    • getDistanceHASu

      public FloatColumn getDistanceHASu()
      Standard Uncertainty of the set of data items which specify the distance between the three atom sites identified by _geom_hbond.id.
      Returns:
      FloatColumn