[phenixbb] Autosol Feedback and questions

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Wed Jan 2 11:40:19 PST 2008

Hi Partha,

> 3. I see that phenix.refine has been used in the internal runs, I have used
> phenix.refine earlier. But after playing with the side chains in Coot, when
> I tried to use the modified pdb file and resolve.mtz, it complained about
> the good old Free_R flag.

Is this the MD5 error message?

> However, it ran directly in Refmac. Is it a known
> problem or maybe I did something stupid? I could do a dry run and change
> the read mtz and not cns if that would solve the problem.

I'm not sure what's going wrong. To be sure, I'd need a reproducer,
or at least an exact description of what happened in which order.

> 4. Lastly, is it possible to use multiple processors to run the job?

No, sorry. Parallelization is a big, complex project. The Cambridge
group has started some work in this direction, but it is still very


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