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13 May
2008
13 May
'08
11:38 p.m.
Hi, I have a structure with a metal beautifully coordinated by 3 water molecules. However, every time I run phenix.refine water picking they get removed (probably due to combination of being too close to metal/too deep in the density). So far I've been manually reentering them into pdb but it becomes a bit frustrating. Is there a way to fix those waters during water picking? Regards, Andrzej -- Andrzej LYSKOWSKI, Ph.D. (andrzej[.]lyskowski[@]helsinki[.]fi) Institute of Biotechnology - Structural Biology & Biophysics P. O. Box 65, Viikinkaari 1 FIN-00014 University of HELSINKI, FINLAND TEL.: 358 9 191 58955 FAX : 358 9 191 59940