[phenixbb] ionic radius

[Diana Tomchick]

This citation, and the papers it references, should help you out.

Acta Crystallographica D
Volume 71| Part 5| May 2015| Pages 1147-1158
doi:10.1107/S1399004715004241

Using support vector machines to improve elemental ion identification in macromolecular crystal structures
Nader Morshed, Nathaniel Echols and Paul D. Adams

Diana

**************************************************
Diana R. Tomchick
Professor
Departments of Biophysics and Biochemistry
University of Texas Southwestern Medical Center
5323 Harry Hines Blvd.
Rm. ND10.214A
Dallas, TX 75390-8816
Diana.Tomchick at UTSouthwestern.edu
(214) 645-6383 (phone)
(214) 645-6353 (fax)

> On Nov 12, 2015, at 11:21 AM, Manoj saxena <mks131 at gmail.com> wrote:
>
> Greetings,
>
> I was wondering if someone can enlighten me on
> the issue of how the metal ionic radius are defined
> in the protein structures. Is there any place in the refinement
> process where we can define it or it is automatically
> taken from some library in the phenix background.
>
> What  is a good resource for knowing the ionic radii,
> I came across this one in an old blog post
>
> http://abulafia.mt.ic.ac.uk/shannon/ is there any other source that
> is used.
>
> Thanks so much in advance
> Manoj Saxena
>
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