[phenixbb] phenix.refine : desire less conservative bonds and angles in optimize_wxc = True.

Pavel Afonine pafonine at lbl.gov
Tue Jan 18 16:37:01 PST 2011

  Hi Francis,

> 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!

More information about the phenixbb mailing list