Package org.rcsb.cif.schema.core

Class GeomContact

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory.DelegatingCifCoreCategory
org.rcsb.cif.schema.core.GeomContact
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class GeomContact
extends DelegatingCategory.DelegatingCifCoreCategory
The CATEGORY of data items used to specify the interatomic contact distances in the structural model.

  • Constructor Details

  • Method Details

    • getId

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

    • getPublFlag

      public StrColumn getPublFlag()
      This code signals whether the contact distance is referred to in a publication or should be placed in a list of significant contact distances.
      Returns:
      StrColumn

    • getSiteSymmetry1

      public StrColumn getSiteSymmetry1()
      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

    • getSiteSymmetry2

      public StrColumn getSiteSymmetry2()
      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

    • getAtomSiteId1

      public StrColumn getAtomSiteId1()
      This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell.
      Returns:
      StrColumn

    • getAtomSiteLabel1

      public StrColumn getAtomSiteLabel1()
      This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell.
      Returns:
      StrColumn

    • getAtomSiteId2

      public StrColumn getAtomSiteId2()
      This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell.
      Returns:
      StrColumn

    • getAtomSiteLabel2

      public StrColumn getAtomSiteLabel2()
      This label is a unique identifier for a particular site in the asymmetric unit of the crystal unit cell.
      Returns:
      StrColumn

    • getDist

      public FloatColumn getDist()
      Intermolecular distance between the atomic sites identified by _geom_contact.id
      Returns:
      FloatColumn

    • getDistance

      public FloatColumn getDistance()
      Intermolecular distance between the atomic sites identified by _geom_contact.id
      Returns:
      FloatColumn

    • getDistEsd

      public FloatColumn getDistEsd()
      Standard Uncertainty of the intermolecular distance between the atomic sites identified by _geom_contact.id
      Returns:
      FloatColumn

    • getDistanceSu

      public FloatColumn getDistanceSu()
      Standard Uncertainty of the intermolecular distance between the atomic sites identified by _geom_contact.id
      Returns:
      FloatColumn