[phenixbb] Refinement problem in phenix
Pavel Afonine
pafonine at lbl.gov
Fri May 22 15:11:40 PDT 2020
Hi,
please define "refinement still not working". I think phenix.refine wont
accept UNX because it has undefined scattering type.
Pavel
On 5/22/20 13:41, Nigel Moriarty wrote:
> 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 <http://CCI.LBL.gov>
>
>
> On Fri, May 22, 2020 at 1:27 PM Muhammad Bashir Khan <mbk at ualberta.ca
> <mailto: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 <mailto:cbrooks1 at ualberta.ca>
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