[phenixbb] Refining with NCS

Pavel Afonine PAfonine at lbl.gov
Mon Aug 25 10:59:37 PDT 2008


Hi Francis,

> Also if anyone has a paper/protocol for NCS refinement, I'd love to  
> check it out (to figure out which map to fit to).

Just something to keep in mind... I always prefer to run two refinements 
in parallel with and without using NCS. It's resolution (and 
data-to-parameters ratio) dependent. I've seen a  number of cases where 
using the NCS is very beneficial and similar number of cases where it's 
better to not use NCS (mostly at resolutions ~2-2.5A).

I would also check manually the NCS groups that are found by 
phenix.refine automatically. I have some cases where automatic detection 
did not yield a good selection.

Pavel.




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