[phenixbb] R, Rfree, and wxu_scale

Pavel Afonine pafonine at lbl.gov
Sat Aug 4 20:28:34 PDT 2007


> My starting model has ANISO in it and I always using individual 
> sites+individual ADP+tls.  But then I can't test wxu_scale anymore 
> since phenix.refine will just reset the wxu_scale.  Since the best way 
> is to use tls every time, how do test wxu_scale?

In this particular case (refinement of TLS + ADP individual) wxu_scale 
is adjusted to the "best" that we found. In this case you are not 
provided an option to play with this value. This is the best we have 
right now. Although this is the most optimized way of doing this among 
existing programs, this will be improved in future.

Pavel.



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