On Thu, Mar 8, 2012 at 7:35 AM, John Rose
I am some what new to PHENIX and using the Mac GUI.
I want to compute a Bijvoet difference Fourier map.
Open the "Calculate maps" tool (first item in the "Maps" category), and load a PDB file plus reflections with anomalous data. The anomalous map coefficients will automatically be included in the output MTZ file, along with 2mFo-DFc and mFo-DFc maps - if you don't want all of these, click the button labeled "MTZ map coefficients" and edit the choices. I'm not sure if the anomalous map coefficients will automatically load in Coot - you might have to load them manually. For CCP4 maps, you can explicitly request one, but clicking the PyMOL button in the maps GUI will create these as needed. We probably need to add this question to the FAQ list. -Nat