Dear Filip,
there are some publications on bond valence parameters, e.g.
Brese & O'eefe, Acta Cryst B47 (1991), 192-197
and Mueller, Koepke, and Sheldrick, Acta Cryst D59 (2003), 32-37 and the
references therein.
They list different values, though (2.10A). Maybe you need to adjust the cif-
file, or there is some other publication.
Best,
Tim
On Tuesday, August 16, 2016 11:09:52 AM Filip Leonarski wrote:
> Dear All,
>
> Does any one know about origin of the 2.18 A restraint for Mg2+-O used
> by CCP4 libraries? I could trace it to lib/data/monomers/ener_lib.cif file,
> but it doesn't appear in Int Tabl Cryst paper cited there.
>
> Thank you,
> Filip
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