[phenixbb] So I think I have a twinning problem... ?
Francis E Reyes
Francis.Reyes at Colorado.EDU
Mon Sep 10 16:20:21 PDT 2007
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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