[phenixbb] phenix.refine : desire less conservative bonds and angles in optimize_wxc = True.
pafonine at lbl.gov
Tue Jan 18 16:37:01 PST 2011
> I'm still refining against experimental phases.. would that matter?
it's a good thing to do in general, but I have no idea how this would be
connected to what we observe. So, I don't know the answer, but I do know
how to get it: simply repeat the same refinement run using ML target
(without using phases) and see if there is any difference. Make sure you
use the same starting model in both runs (so you can do meaningful
I would be interested to know the outcome...
All the best!
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