[phenixbb] ionic radius

Diana Tomchick Diana.Tomchick at utsouthwestern.edu
Thu Nov 12 09:36:50 PST 2015

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

Acta Crystallographica D
Volume 71| Part 5| May 2015| Pages 1147-1158

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


Diana R. Tomchick
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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