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Category geom_contact

Category 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.

Category Examples

Example 1:

    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

Key Category Items

Items in Category geom_contact

Item Name	Mandatory Code
_geom_contact.atom_site_auth_asym_id_1	no
_geom_contact.atom_site_auth_asym_id_2	no
_geom_contact.atom_site_auth_atom_id_1	no
_geom_contact.atom_site_auth_atom_id_2	no
_geom_contact.atom_site_auth_comp_id_1	no
_geom_contact.atom_site_auth_comp_id_2	no
_geom_contact.atom_site_auth_seq_id_1	no
_geom_contact.atom_site_auth_seq_id_2	no
_geom_contact.atom_site_id_1	yes
_geom_contact.atom_site_id_2	yes
_geom_contact.atom_site_label_alt_id_1	no
_geom_contact.atom_site_label_alt_id_2	no
_geom_contact.atom_site_label_asym_id_1	no
_geom_contact.atom_site_label_asym_id_2	no
_geom_contact.atom_site_label_atom_id_1	no
_geom_contact.atom_site_label_atom_id_2	no
_geom_contact.atom_site_label_comp_id_1	no
_geom_contact.atom_site_label_comp_id_2	no
_geom_contact.atom_site_label_seq_id_1	no
_geom_contact.atom_site_label_seq_id_2	no
_geom_contact.dist	no
_geom_contact.dist_esd	no
_geom_contact.publ_flag	no
_geom_contact.site_symmetry_1	yes
_geom_contact.site_symmetry_2	yes


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