phenix.refine request: output den restraints to a file...
Hi phenixbb (Jeff probably), I wanted to try a few different protocols with the den refinement. It occurred to me that phenix.refine won't take den restraints as an external file, instead it seems to be generating them on the fly. Can I have an option to output (and also read in) den restraints? I'd like to generate them once and use the same restraints to test a different refinement params. F --------------------------------------------- Francis E. Reyes M.Sc. 215 UCB University of Colorado at Boulder
Hi Francis,
I agree, being about to use the same DEN network for different
refinement runs would be a useful feature. I'll add this to my
to-do-list.
Jeff
On Tue, Jan 10, 2012 at 7:05 AM, Francis E Reyes
Hi phenixbb (Jeff probably),
I wanted to try a few different protocols with the den refinement. It occurred to me that phenix.refine won't take den restraints as an external file, instead it seems to be generating them on the fly. Can I have an option to output (and also read in) den restraints? I'd like to generate them once and use the same restraints to test a different refinement params.
F
--------------------------------------------- Francis E. Reyes M.Sc. 215 UCB University of Colorado at Boulder
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participants (2)
-
Francis E Reyes -
Jeff Headd