Fred

If you change the input geometry to be C3'-endo, phenix.refine will maintain the geometry by applying the appropriate restraints. I can see how specifying the desired pucker would be nice. If you send me the files, I will work on it.

Cheers

Nigel

---
Nigel W. Moriarty
Building 33R0349, Molecular Biophysics and Integrated Bioimaging
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709     Email : NWMoriarty@LBL.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov

On Fri, Apr 27, 2018 at 1:54 PM, Dyda <dyda@ulti.niddk.nih.gov> wrote:

Hi,

Is it possible and if so how to change the pucker restraint
for a particular DNA nucleotide from C2'-endo to C3'-endo
in phenix.refine? I have a problem with a terminal nucleotide
that is in an active site and the current C2'-endo doesn't
seem consistent with the 2Fo-Fc map.

Thanks for your help.

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Fred Dyda, Ph.D.                       Phone:301-402-4496
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