Hi all,

in the final stages of refining a structure, I would like to optimize the restraint weights for geometry and B factors.

It seems to work fine for geometry by defining "refinement.target_weights.wxc_scale=1.0".

However, when the respective definition for B-factors does not seem to have an impact at all.

I tried both:

"refinement.target_weights.wxu_scale=2.0" in the parameter file or

"wxu_scale=2.0" in the command line.

 

The main reason why I try to fiddle around with the B-weights is that coot gives me a whole bunch of red bars in the Temperature factor variance analysis...

 

I am using phenix 1.3d (downloaded past Sunday), mac-intel-osx, osx-10.4.10

 

Any ideas?

 

Cheers

Jan