[phenixbb] Global refinement parameters - use statistical model for missing atoms
pafonine at lbl.gov
Fri Jan 28 17:32:08 PST 2011
I added this option with a high expert level:
use_statistical_model_for_missing_atoms = False
.type = bool
so it's not too visible at the moment... I'm still working on it.
This will be a way to explicitly account for missing atoms in severely
incomplete models. I will write a quick notice on phenixbb once it is
available for general use.
> Hi All,
> Does it make sense that when the box for "use statistical model for
> missing atoms" is picked under the GUI's "Global refinement parameters
> options" that one might obtain "better" Free-R values? I seem to be
> seeing that for a 2.3 A refinement of a crystal with a monomer of 550
> residues in the asymmetric unit and 68% solvent content. When I
> uncheck the box I get about a 3% increase in Free-R. Is there more
> information about what this option is actually doing and when it might
> be useful to employ?
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