[phenixbb] Calculating Bijvoet difference Fourier map

Nathaniel Echols nechols at lbl.gov
Thu Mar 8 06:45:14 PST 2012

On Thu, Mar 8, 2012 at 7:35 AM, John Rose <rose at bcl4.bmb.uga.edu> wrote:
> 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.


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