[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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