[phenixbb] where are the optimized wxc_scale and wxu_scale when optimize_wxc_scale and optimize_wxu_scale = True?

Francis E Reyes Francis.Reyes at Colorado.EDU
Fri Aug 7 08:56:14 PDT 2009

Hi all

I went through the time to optimize_wxc and optimize_wxu to help pull  
out some density for ligands (i.e. all sequence assigned residues are  
built). However, it would be nice if the resulting .def was updated  
with the optimized wxc and wxu. Where are those values? I didn't think  
for wxc it was scale=XX in the following lines..

       r_work= 0.2167 r_free= 0.2525 bonds= 0.003 angles=  0.70  
scale=  7.00
       r_work= 0.2097 r_free= 0.2502 bonds= 0.004 angles=  0.96  
scale=  8.00
       ... etc

Refining with the scale= value that phenix ultimately chose didn't  
work form me (resulted in awful geometry and high r/rfree).



Francis Reyes M.Sc.
215 UCB
University of Colorado at Boulder

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