[phenixbb] cif. file for AFITT

[Nigel Moriarty]

Have you checked that AFITT works on your end?

Does afitt.run_tests work?

BTW, you put the wrong address in your GUI generated error so we couldn't
respond earlier.

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 Fri, Mar 26, 2021 at 2:41 PM Muhammad Bashir Khan <mbk at ualberta.ca>
wrote:

> Hello all
>
> Could somebody explain how I can generate a cif. file of ligand for AFITT.
> I am using afitt in phenix refinement using the ligand cif. file generated
> by the elbow. But it complains. I have two different types of ligands in
> the structure.
>
> Thanks
>
> 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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