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: [email protected] 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
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