[phenixbb] Automated Mg & K ions picking

Kristen Eisenberg kristen.eisenberg at yahoo.com
Mon Oct 10 04:01:03 PDT 2011

Hi Hasan,

yes, we plan to extend water picking procedure so it can identify 
single-atom ions, but no specific tool is available to use right now.

You need to inspect waters (for example, a water with "too small" 
refined B-factor is likely to be a metal), and density peaks 
(phenix.refine may not place a water into a density peak if it is too 
different from what is expected for water).

Kristen Eisenberg
Billige Flüge
Marketing GmbH
Emanuelstr. 3,
10317 Berlin
Telefon: +49 (33)
utebachmeier at
- Billige Flüge vergleichen
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