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An example of mytwinrefinement.eff looks like this: refinement.twinning { twin_law = "-h-k,k,-l" detwin { mode = algebraic proportional *auto map_types { twofofc = *two_m_dtfo_d_fc two_dtfo_fc fofc = *m_dtfo_d_fc gradient m_gradient aniso_correct = False } } } I think it would make sense to (re)build in the maps from phenix.refine rather than using density modified maps, if the model is complete enough that is. Tom, do you have some comments on this? Greetings Peter Tom Terwilliger wrote:
Hi Francis,
Unfortunately we have not yet incorporated twin refinement directly into autobuild. However you can specify this in a "mytwinrefinement.eff" file that tells phenix.refine what to do, and then you can read this in to autobuild with (command-line version):
refine_eff_files_list=mytwinrefinement.eff
(or from the GUI by filling in the blank under "Refinement parameters files (optional)".
All the best, Tom T
At 11:16 AM 9/10/2007, Francis E Reyes wrote:
Hello all
So I discovered from xtriage that my crystal is twinned. I have a pretty decent model that xtriage says has an r/rfree of 30/30 to a resolution of 2.6. I wanted to try a phenix.autobuild at 2.8A. I couldn't find a parameter flag for autobuild that turns on twinning.
I already autobuilt this model once, and the xtriage log did find that the crystal was twinned, but twinning in refinement of the model during rebuilding wasn't turned on.
Is there a way to tell autobuild to rebuild using twinning?
Thanks
FR
--------------------------------------------- Francis Reyes M.Sc. 215 UCB University of Colorado at Boulder
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