[phenixbb] To evalute the LLG value by given the structure factor information only
pafonine at lbl.gov
Sat Apr 30 23:30:03 PDT 2011
isn't it (or a simple derivative of) what phenix.refine outputs all the
time, see log file for lines like this:
| x-ray target function (ml) for work reflections:
where ML target function is defined here:
Acta Cryst. (1995). A51, 880-887
Acta Cryst. (2002). A58, 270-282.
I guess the above value is normalized by a number of reflections or
something like this (I don't remember, but if you are interested let me
know and I will have a look at the code). It may also not contain a
constant part of the target.
May be I should add it to phenix.model_vs_data output...
> Is there any way in phenix (such as phenix.refine) to evaluate the
> LLG(log-likelihood) value by given the structure factor information only
> (Fo, sigmaFo and Fc)? Thanks in advance for any information!
> Best regards, Hailiang
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