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Category geom_angle
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Category Description
Data items in the GEOM_ANGLE category record details about the
molecular and crystal angles, as calculated from the contents
of the ATOM, CELL, and SYMMETRY data.
Category Examples
Example 1:
Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [(1991).
Acta Cryst. C47, 2276-2277].
loop_
_geom_angle.atom_site_id_1
_geom_angle.atom_site_id_2
_geom_angle.atom_site_id_3
_geom_angle.value
_geom_angle.site_symmetry_1
_geom_angle.site_symmetry_2
_geom_angle.site_symmetry_3
_geom_angle.publ_flag
C2 O1 C5 111.6(2) 1_555 1_555 1_555 yes
O1 C2 C3 110.9(2) 1_555 1_555 1_555 yes
O1 C2 O21 122.2(3) 1_555 1_555 1_555 yes
C3 C2 O21 127.0(3) 1_555 1_555 1_555 yes
C2 C3 N4 101.3(2) 1_555 1_555 1_555 yes
C2 C3 C31 111.3(2) 1_555 1_555 1_555 yes
C2 C3 H3 107(1) 1_555 1_555 1_555 ?
N4 C3 C31 116.7(2) 1_555 1_555 1_555 yes
# - - - - data truncated for brevity - - - -
Key Category Items
Items in Category geom_angle
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This HTML dictionary was created using the
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at the
Resource Collaboratory for Structural Bioinformatics
Rutgers University, Department of Chemistry
New Brunswick, New Jersey
help@rcsb.rutgers.edu