[phenixbb] Fixing waters around metal atom

Jendrek alnyds at gmail.com
Tue May 13 23:38:22 PDT 2008


  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 

  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

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