[phenixbb] Automated Mg & K ions picking

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 Deutschland Telefon: +49 (33) 5310967 Email: utebachmeier at gmail.com Site: http://flug.airego.de - Billige Flüge vergleichen