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Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category GEOM_ANGLE

Name:
'geom_angle'

Description:

   Data items in the GEOM_ANGLE category record details about the
   bond angles as calculated from the contents
   of the ATOM, CELL and SYMMETRY data.

Example:

Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [Acta Cryst. (1991), 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.value_esd
    _geom_angle.site_symmetry_1
    _geom_angle.site_symmetry_2
    _geom_angle.site_symmetry_3
    _geom_angle.publ_flag
     C2  O1  C5   111.6  0.2  1_555  1_555  1_555  yes
     O1  C2  C3   110.9  0.2  1_555  1_555  1_555  yes
     O1  C2  O21  122.2  0.3  1_555  1_555  1_555  yes
     C3  C2  O21  127.0  0.3  1_555  1_555  1_555  yes
     C2  C3  N4   101.3  0.2  1_555  1_555  1_555  yes
     C2  C3  C31  111.3  0.2  1_555  1_555  1_555  yes
     C2  C3  H3   107    1    1_555  1_555  1_555  no
     N4  C3  C31  116.7  0.2  1_555  1_555  1_555  yes
    # - - - - data truncated for brevity - - - -



Category groups:
    inclusive_group
    geom_group
Category keys:
    _geom_angle.atom_site_id_1
    _geom_angle.atom_site_id_2
    _geom_angle.atom_site_id_3
    _geom_angle.site_symmetry_1
    _geom_angle.site_symmetry_2
    _geom_angle.site_symmetry_3

Mandatory category: no