Hi Morten,

At present DEN only looks at Rfree. Using CC is an interesting idea, but I'm not sure how involved it would be to implement such a routine.

In theory you should be able to run DEN on a selection, but in my own simple test this did not work. I'll see if there is a bug that can be fixed.

Jeff

On Fri, Oct 25, 2013 at 5:34 AM, Morten Grøftehauge <mortengroftehauge.work@gmail.com> wrote:

Hi guys,

Is there any way to do a DEN refinement run where it looks for the best map-model CC instead of the best Rfree? Even more useful would be map-model CC of selected residues...

Or can I run DEN refinement on only part of the structure? That should in theory be faster. And since the Rfree values for the correct parts of the structure would be then fixed then I should get rid of the problem of Phenix selecting the refinement weights that result in the structure most like the input structure. Does that make sense?

Cheers,
Morten

--
Morten K Grøftehauge, PhD
Pohl Group
Durham University

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