[phenixbb] Anomalous difference map calcluation

Pavel Afonine PAfonine at lbl.gov
Tue Jul 15 21:45:19 PDT 2008


Hi Andrzej,

there is a bug there that we have to fix. Sorry about this.
Pavel.


----- Original Message -----
From: Jendrek <alnyds at gmail.com>
Date: Tuesday, July 15, 2008 6:05 am
Subject: [phenixbb] Anomalous difference map calcluation
To: phenixbb at phenix-online.org

> Dear All,
> 
>  I'm looking at my anomalous difference map from phenix.refine and 
> it seems 
> more or less random distributions of electron density peaks.
> I know that the signal is there since I solved it with SAD. I'm 
> using I(+/-) for 
> refinement and everything seems to work fine except the map 
> generation.
> The only thing that worries me is that during the creation of _data 
> file for 
> refinement DANO column was not preserved.
> 
>  Is it necessary for phenix.refine in order to generate the 
> anomalous 
> difference map?
> How can I make sure that the DANO column is preserved (if necessary)?
> 
> And by the way why is anomalous map file not generated just 
> coefficients in the mtz?
> 
> 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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> 



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