On Sat, Oct 8, 2011 at 6:23 PM, Yuri
I am calculating an SA. composite omit map to show active site density. It looks like the output format is mtz coefficients. How can I get it to ccp4 or .xplor format for PyMol?
If you're in the GUI, this happens automatically when you click one an "Open in PyMOL" button. If you're using the command line, use this command to get the CCP4 map: phenix.mtz2map map_coeffs.mtz model.pdb The model file is optional, but providing it will result in a map that covers your molecule instead of just the unit cell. (This is also in the GUI as "FFT map coefficients".) Output is one .ccp4 file for each set of map coefficients it finds - in most cases the file names will reflect the MTZ column labels. (Depending on which version you're using and which columns AutoBuild outputs, the map coefficients will be in either FWT,PHWT or FP PHI* FOM*.) -Nat