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Category geom
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Category Description
Data items in the GEOM and related (GEOM_ANGLE,
GEOM_BOND, GEOM_CONTACT, GEOM_HBOND and GEOM_TORSION)
categories record details about the molecular and crystal
geometry, as calculated from the contents of the ATOM, CELL,
and SYMMETRY data.
Geometry data are therefore redundant, in that they can be
calculated from other more fundamental quantities in the data
block. They serve, however, the dual purpose 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.
Key Category Items
Items in Category geom
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This HTML dictionary was created using the
CIFLIB C Language Application Program Interface
at the
Resource Collaboratory for Structural Bioinformatics
Rutgers University, Department of Chemistry
New Brunswick, New Jersey
help@rcsb.rutgers.edu