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


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