[phenixbb] More stringent water picking

[Petrus H Zwart]

I think you can change 

refinement.ordered_solvent.primary_map_cutoff 

from 3 to 3.5 or 4 maybe

and maybe raise 

refinement.ordered_solvent.secondary_map_cutoff 

to 1.5 or so.

I think this will work:

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

HTH

Peter







----- 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 
> 
> 
>