weight optimization in refinement
Hi, Is there a setting to control the number of parallel weight optimization threads in phenix.refine? Also, is there a way to force phenix.refine to perform global real-space refinement (rsrg)? Most of the time, when the "real-space" option is selected, it only carries out rotamer fitting (rsrl). I do know there's a separate real-space refinement program in Phenix. Thanks!
Hi Alexei,
Is there a setting to control the number of parallel weight optimization threads in phenix.refine?
nproc parameter controls number of CPUs to be used in weight optimization.
Also, is there a way to force phenix.refine to perform global real-space refinement (rsrg)?
No. There is some built-in logic, phenix.refine does it when these conditions are met and it can un-do the result if it is not an improvement. Is there particular need to do this in your context? Pavel
participants (2)
-
Alexei Gorelik
-
Pavel Afonine