[phenixbb] How to generate an anomalous map in PHENIX?

Tom Terwilliger terwilliger at lanl.gov
Tue Jun 17 10:39:36 PDT 2008

Hi Carsten,

I'm not certain which file map_coeffs.mtz is (I don't recognize the  
labels ANOM and PHANOM and my AutoSol_run_1_/TEMP0/map_coeffs.mtz  
doesn't have these columns), but I if it is coming from a wizard   
think that none of the files produced by the wizards will give you the  
desired anomalous map.  I hope that helps!  Perhaps someone else will  
recognize these column labels...

All the best,
Tom T

Thomas C. Terwilliger
Mail Stop M888
Los Alamos National Laboratory
Los Alamos, NM 87545

Tel:  505-667-0072                 email: terwilliger at LANL.gov
Fax: 505-665-3024                 SOLVE web site: http://solve.lanl.gov
PHENIX web site: http:www.phenix-online.org
ISFI Integrated Center for Structure and Function Innovation web site: http://techcenter.mbi.ucla.edu
TB Structural Genomics Consortium web site: http://www.doe-mbi.ucla.edu/TB
CBSS Center for Bio-Security Science web site: http://www.lanl.gov/cbss

On Jun 17, 2008, at 10:52 AM, Schubert, Carsten [PRDUS] wrote:

> Hi,
> I am trying to make an anomalous map in the latest phenix. After  
> refinement of a medium resolution structure (1.8A) with anomalous  
> data (and signal) I used the ANOM and PHANOM columns in the  
> map_coeffs.mtz file to generate a map. The map was created either in  
> coot or via fft, but shows no anomalous peaks for a present Cl1 nor  
> for SS bonds.  It rather mimics a noisy protein map. Generation of  
> an anomalous map in CNX using the same data (FOBS(+/-) and HL  
> coeffs(calc) ) produces a nice map with the expected peaks. Am I  
> misunderstanding the purpose of the ANOM/PHANOM columns or is this  
> feature not implemented yet.
> Cheers
>         Carsten
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://www.phenix-online.org/mailman/listinfo/phenixbb

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