[phenixbb] Ligand refinment problum

Muhammad Bashir Khan mbk at ualberta.ca
Thu Mar 18 14:26:21 PDT 2021

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.



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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