Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category GEOM_BOND

Name:
'geom_bond'

Description:

   Data items in the GEOM_BOND category record details about
   the bond lengths 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_bond.atom_site_id_1
    _geom_bond.atom_site_id_2
    _geom_bond.dist
    _geom_bond.dist_esd
    _geom_bond.site_symmetry_1
    _geom_bond.site_symmetry_2
    _geom_bond.publ_flag
      O1  C2   1.342  0.004  1_555  1_555  yes
      O1  C5   1.439  0.003  1_555  1_555  yes
      C2  C3   1.512  0.004  1_555  1_555  yes
      C2  O21  1.199  0.004  1_555  1_555  yes
      C3  N4   1.465  0.003  1_555  1_555  yes
      C3  C31  1.537  0.004  1_555  1_555  yes
      C3  H3   1.00   0.03   1_555  1_555  no
      N4  C5   1.472  0.003  1_555  1_555  yes
    # - - - - data truncated for brevity - - - -



Category groups:
    inclusive_group
    geom_group
Category keys:
    _geom_bond.atom_site_id_1
    _geom_bond.atom_site_id_2
    _geom_bond.site_symmetry_1
    _geom_bond.site_symmetry_2

Mandatory category: no