[phenixbb] Implementation of French & Wilson data correction?

Nathaniel Echols nechols at lbl.gov
Mon Feb 28 08:56:45 PST 2011

On Mon, Feb 28, 2011 at 8:34 AM, Ed Pozharski <epozh001 at umaryland.edu> wrote:
> Also beware that phenix used to ignore input Fo's as long as the
> intensities are still present (this may have changed though).  So if you
> want it to use the Fo's that you have supplied, make sure that
> intensities are deleted from the input mtz-file.

This hasn't changed - at least not yet.  (I'm not sure what we decided
to do here.)  The plan is for phenix.refine (and other apps) to
automatically run the procedure when intensities are used, skipping an
extra conversion step.  Right now it's optional, pending some changes
to the output MTZ file, so it needs an extra parameter:

phenix.refine i_obs.mtz model.pdb french_wilson=True

(It isn't obvious what to do in the GUI, but I'll fix that today.)


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