Re: [phenixbb] ionic radius

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 [email protected] (214) 645-6383 (phone) (214) 645-6353 (fax)

On Nov 12, 2015, at 11:21 AM, Manoj saxena 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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