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Category geom_contact
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Category Description
Data items in the GEOM_CONTACT category record details about
molecular and crystal 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
(1991). Acta Cryst. C48, 2262-2264].
loop_
_geom_contact.atom_site_id_1
_geom_contact.atom_site_id_2
_geom_contact.dist
_geom_contact.site_symmetry_1
_geom_contact.site_symmetry_2
_geom_contact.publ_flag
O(1) O(2) 2.735(3) . . yes
H(O1) O(2) 1.82 . . no
Key Category Items
Items in Category geom_contact
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