[phenixbb] Ligand refinment problum

Nigel Moriarty nwmoriarty at lbl.gov
Thu Mar 18 15:03:05 PDT 2021


Please send me the model so I can investigate.

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
ORCID : orcid.org/0000-0001-8857-9464


On Thu, Mar 18, 2021 at 2:44 PM Muhammad Bashir Khan <mbk at ualberta.ca>
wrote:

> Hello all;
>
> I have a crystal structure with four molecules per unit of the cell. It
> contains two different ligands. Four are similar while the fifth one is
> different. Placed all the five ligands manually by coot. Now I want to
> refine. Before refinement, I run the ReadySet to generate the cif. file. It
> shows an error. Then I supply the cif. file of both the ligand coming from
> the elbow, It still shows the following error. screenshot attached. Any
> help would be appreciated.
>
>
>
> Sincerely;
>
> 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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