Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category GEOM_CONTACT

Name:
'geom_contact'

Description:

   Data items in the GEOM_CONTACT category record details about
   interatomic contacts as calculated from the contents
   of the ATOM, CELL and SYMMETRY data.

Example:

Example 1 - based on data set CLPHO6 of Ferguson, Ruhl, McKervey & Browne [Acta Cryst. (1992), C48, 2262-2264].
 
    loop_
    _geom_contact.atom_site_id_1
    _geom_contact.atom_site_id_2
    _geom_contact.dist
    _geom_contact.dist_esd
    _geom_contact.site_symmetry_1
    _geom_contact.site_symmetry_2
    _geom_contact.publ_flag
     O(1)  O(2)     2.735  0.003  .  .  yes
     H(O1) O(2)     1.82      .   .  .  no



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

Mandatory category: no