Dear Wojtek, you can try something of this type to get the EM map converted into an hkl list and mtz file with I's and some sigma I's estimated to 1/10 of the I's (the latter is required for running fittings/refinements etc.).
Best, Bruno /usr/local/rave/rave_linux/lx_mapman <<EOF re m2 name_40-8A.ccp4 ccp4 no m2 uvw m2 3 1 2 write m2 name_40-8A-uvw.ccp4 ccp4 quit EOF /usr/local/ccp4-version/bin/sftools <<EOF MAPIN name_40-8A-uvw.ccp4 map MAP2SF calc q col sigma = col 1 10 / CALC I col test = rfree(0.05) WRITE name_40-8A-uvw.fobs col 1 3 2 4 xpl FOBS PHASE write name_40-8A-uvw.mtz quit -----Message d'origine----- De : CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] De la part de Wojtek Potrzebowski Envoyé : Friday, July 13, 2012 5:28 PM À : CCP4BB@JISCMAIL.AC.UK Objet : [ccp4bb] Rigid body refinement with phenix using EM maps. Dear all, I want to refine a model of the complex that consists of rigid subunits using an electron microscopy electron density map. I've tried to use phenix for this purpose. Thus I have to back-FT the electron density map to a mtz reflection file. I've experienced problem using sfall for this purpose, but cinvfft has done a job (I can read a resulting file with mtzdmp). However phenix doesn't read this file properly (data labels box is empty). Can anyone help me on this, please? I am looking forward to hearing from you, Wojtek ########################################################################### Dr. Bruno P. Klaholz Department of Integrated Structural Biology Institute of Genetics and of Molecular and Cellular Biology IGBMC - UMR 7104 - U 964 1, rue Laurent Fries BP 10142 67404 ILLKIRCH CEDEX FRANCE http://www.igbmc.fr/ http://igbmc.fr/Klaholz
