[phenixbb] SA-torsion refinement

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Tue Sep 8 14:02:19 PDT 2009


> Does phenix have SA-torsion angle refinement option similar to what is  
> available in CNS?

Yes, with a recent installer (less than a week or two old) you can try
it out by adding

        simulated_annealing_torsion=True

in addition to the other settings for turning on simulated annealing.

There are some known problems that I didn't have a chance to fix yet,
but if it doesn't crash it should be OK. If you get a crash or weird
results, let me know.

Ralf



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