[phenixbb] More stringent water picking

Petrus H Zwart PHZwart at lbl.gov
Mon Mar 19 09:58:41 PDT 2007

I think you can change 


from 3 to 3.5 or 4 maybe

and maybe raise 


to 1.5 or so.

I think this will work:

phenix.refine secondary_map_cutoff=<whatever> primary_map_cutoff=<whatever> <other keywords>



----- Original Message -----
From: "Schubert, Carsten [PRDUS]" <CSCHUBER at prdus.jnj.com>
Date: Monday, March 19, 2007 9:48 am
Subject: [phenixbb] More stringent water picking
To: phenixbb at phenix-online.org

> Hi, 
> is it possible to increase the stringency criteria for picked waters,
> besides increasing the sigma level? E.G. something on the order of the
> H-bonding criterion found in CNS? I find that the automated water-
> pickingroutine gives me quite a few waters, which are not 
> necessarily justified by
> visual inspection of the maps. 
> Thanks 
>        Carsten 

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