Index

Core dictionary version 3.3.0

Category GEOM

Parent category:
MODEL

Definition:

   
    Data items in the GEOM category describe aspects of the overall geometry
    of the structural model as derived from the atomic sites.
    The detailed 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.

Category is of type Set