[phenixbb] ionic radius

Pavel Afonine pafonine at lbl.gov
Thu Nov 12 17:45:34 PST 2015


also it may be worth looking in modules/chem_data/mon_lib/ener_lib.cif 
of your Phenix installation.


On 11/12/15 09:21, 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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