Dear Steven, maybe you have to permutate the order in the way the map is read in, here is what I have used some time ago for an EM map.
HTH, best regards, Bruno /usr/local/rave/rave_linux/lx_mapman <<EOF re m1 name_40-8A.ccp4 ccp4 no m1 uvw m1 3 1 2 write m1 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 ________________________________ De : CCP4 bulletin board [[email protected]] de la part de Steven Chou [[email protected]] Envoyé : mercredi 15 octobre 2014 02:53 À : [email protected] Objet : [ccp4bb] Why the phases from sftools are flipped? Dear All, I used 'sftools (in CCP4)' to convert a map (in CCP4 format) to structure factors (.mtz). However the phases were flipped. I back converted it into a map file and compared it with the original one. The back converted one was just the mirror of the original one. To get the right phase, I had to convert the structure factors to a text format (CIF or XPLOR) and edit it with script. Their relationship is: CorrectPhase = 360 - phaseFromSftools. I also used CNS to do the same conversion. The phases from CNS were correct. sftools > set spacegroup > P1 > set cell > 200 200 200 90.000 90.000 90.000 > mapin input.map MAP > map2sf resol 3 column F_prot PHI_prot > write output.mtz > exit Was sftoold designed in this way? Thanks! Steven -- Steven Chou
