[phenixbb] Twin Law question

Nathaniel Echols nechols at lbl.gov
Thu Oct 28 13:23:00 PDT 2010

On Wed, Oct 27, 2010 at 1:33 PM, Young-Jin Cho <yjcho at brandeis.edu> wrote:
> As my recent data did not give me perfect statistics, I was wondering what the problem was (one of things is ice ring though).  When I ran Xtriage with my struggling current data set and looked like I got twinned data.  I reran PHASER as was suggested and confirmed that current space group is right.  My question is now how I can handle this problem.  First, as was recommended I input twin_law, however not all the cases (I have a couple of data sets) were working. One favorite(!) error message was as following:
> "Map type 'Fc' not supported for twinned structures. Allowed types: Fo-Fc, Fobs-Fobs-Fmodel, 2mFo-DFc, 2mFobs-DFmodel, mFo-DFc, mFobs-DFmodel, gradient, m_gradient."
> I got this from both GUI and shell environment.

Sorry, I meant to reply to this yesterday.  The problem is that
several individual options in phenix.refine are incompatible with
twinned refinement - mostly map-related procedures like rotamer
fitting and real-space refinement.  Specifying non-standard map types
for output may also trigger this message.  I try to check for these
conflicts in the GUI but I don't have a complete list of which options
don't work.  (Torsion dynamics was on the list until recently, but the
recent nightly builds should fix that bug.)  Unfortunately, there
isn't any central sanity check in phenix.refine either.


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