[phenixbb] Refinement problem in phenix

Nigel Moriarty nwmoriarty at lbl.gov
Fri May 22 13:41:47 PDT 2020


Muhammad

There is an option in refinement that will determine the ion that best fits
a density blob. You should try that after removing the UNX.

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 at LBL.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov


On Fri, May 22, 2020 at 1:27 PM Muhammad Bashir Khan <mbk at ualberta.ca>
wrote:

> Hi there;
>
> I find some unknown density in my map, where I put SO4 and in some UNX. I
> merged and save all in one PDB. I run ReadySet to make cif. file, but
> refinement still not working. Can anybody explain what else I should
> provide?
>
> Thanks in advance
>
> Bashir
>
> --
> ------------------------------------------------------
> Muhammad Bashir Khan, Ph.D.
> Research Associate
> Department of Biochemistry
> Medical Science Bldg.
> Lab 3-27
> University of Alberta
> Edmonton AB, T6G 2H7
>
> Phone: 780-492-4577-
> e-mail: mbk at ualberta.ca <cbrooks1 at ualberta.ca>
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