Package org.rcsb.cif.schema.core

Class Geom

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory.DelegatingCifCoreCategory
org.rcsb.cif.schema.core.Geom
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class Geom
extends DelegatingCategory.DelegatingCifCoreCategory
The CATEGORY of data items used to specify the geometry of the structural model as derived from the atomic sites. The geometry is expressed in terms of the interatomic angles (GEOM_ANGLE data), covalent bond distances (GEOM_BOND data), contact distances (GEOM_CONTACT data), hydrogen bonds (GEOM_HBOND data) and torsion geometry (GEOM_TORSION data). Geometry data are usually redundant, in that they can be calculated from other more fundamental quantities in the data block. However, they serve the dual purposes of providing a check on the correctness of both sets of data and of enabling the most important geometric data to be identified for publication by setting the appropriate publication flag.

  • Constructor Details

  • Method Details

    • getBondDistanceIncr

      public FloatColumn getBondDistanceIncr()
      Increment added to the bond radii for the atomic species to specify the maximum permitted "bonded" distance between two atom sites.
      Returns:
      FloatColumn

    • getBondDistanceMin

      public FloatColumn getBondDistanceMin()
      Minimum permitted "bonded" distance between two atom sites.
      Returns:
      FloatColumn

    • getContactDistanceIncr

      public FloatColumn getContactDistanceIncr()
      Increment added to the bond radii for the atomic species to specify the maximum permitted "contact" distance between two "non-bonded" atom sites.
      Returns:
      FloatColumn

    • getContactDistanceMin

      public FloatColumn getContactDistanceMin()
      Minimum permitted "contact" distance between two "non-bonded" atom sites.
      Returns:
      FloatColumn

    • getDetails

      public StrColumn getDetails()
      Description of geometry information not covered by the existing data names in the geometry categories, such as least-squares planes.
      Returns:
      StrColumn

    • getSpecialDetails

      public StrColumn getSpecialDetails()
      Description of geometry information not covered by the existing data names in the geometry categories, such as least-squares planes.
      Returns:
      StrColumn