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 : [email protected] 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 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

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