On Fri, Mar 23, 2012 at 12:02 PM, John Rose
Is there a way to get a print out of the peak positions and their heights from a Bijvoet difference Fourier map?
I can generate the map and see the peals but I would like a listing also.
Download the latest nightly build and run this command (or use the GUI): phenix.find_peaks_holes data.mtz model.pdb You may also need to specify this to make sure it uses the anomalous data: xray_data.labels="F(+),SIGF(+),F(-),SIGF(-)" (the command is supposed to show options if you run it without arguments, but I see this is broken - will be fixed next build.) Among other things, it will produce a list of anomalous peaks above 3sigma (set anom_map_cutoff=X to change this), which will also written to a PDB file as UNK atoms (chain C). -Nat