[phenixbb] SA (torsion angle) along with B factor reset to low value.

Pavel Afonine pafonine at lbl.gov
Wed Feb 18 15:38:15 PST 2015

Sounds like you customized more options than you have revealed in the 

I think all you need to do is:
- reset B;
- remove water and ask phenix.refine ad it again;
- run refinement with Cartesian SA;
- use 5-10 macro-cycles;

This should be totally sufficient. Instead of SA you can shake 
coordinates of input atoms with RMSD ~0.5A.


On 2/18/15 12:29 PM, Tarek DawoD wrote:
> to remove memory of the old original R-free flags (which is not 
> available) and using a new test set, i reset the B factor and use SA 
> (torsion angle)
> i got this error: not implemented: support of different sites. 
> individual and sites.torsion_angles selection.
> what does that mean?
> thank you in advance
> TK_DawoD
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