[phenixbb] So I think I have a twinning problem... ?

[Peter Zwart]

Try downloadiong the latest version of phenix/cci_apps and see if that 
make a difference.
It sounds like a problem I have seen before and solved already.
If not, contact me personally.

HTH

Peter

Francis E Reyes wrote:
> Hi all
>
> The short of the long is that phenix.xtriage on a C2 data set shows 
> twinning with 3 twinning operators (-h,-k-l -k-h-l and k,h,-l).  
> Pushing it through twin_utils, the soution k,h,-l gives an r/rfree of 
> 0.30 and 0.3014 when the twin fraction is 0.352 .
>
> The question is where to go from here? I try to phenix.refine the same 
> model in phenix.xtriage (except the mtz file is from the latest round 
> of refinement of that model) and the R/Rfree on macro cycle =2  is 30 
> and 34 . Unfortunately, it doesn't seem to finish the refinement, I 
> get a seg fault.  In the def file for the refinement I set twinning = 
> True and twin_law = k,h,-l . 
>
> I tried to subject the same model and the .ref file to an autobuild 
> passing in a .eff file for refinement specifying the twin_law, and 
> again I get a segfault / crash when refining the input model. 
>
> Please advise!
>
> ---------------------------------------------
> Francis Reyes M.Sc.
> 215 UCB
> University of Colorado at Boulder
>
> gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D
>
> 8AE2 F2F4 90F7 9640 28BC  686F 78FD 6669 67BA 8D5D
>
>
>
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