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
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