Re: [phenixbb] Refinement problem in phenix

Hi Nigel; I tried to find that option, but I can not find it. Could you please give some more hints where is that option is hidden. Thanks Bashir On Fri, May 22, 2020 at 4:11 PM Pavel Afonine wrote:

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 : [email protected] Fax : 510-486-5909 Web : CCI.LBL.gov

On Fri, May 22, 2020 at 1:27 PM Muhammad Bashir Khan 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

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-- ------------------------------------------------------ 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: [email protected]