Thank you for all the advices, I am now able to refine the ligand in half occupancy!

Matt



2008/6/10 Guillaume Marassio <[log in to unmask]>:
I'am not sure it is your problem but you can try with A and B before the residue number.
Hope it will be helpfull.
Guillaume Marassio

Matthew Chu a écrit :

Dear All,

Can anyone teach me how to refine a ligand in a protein structure with half occupancy in refmac?
I have tried to combine the coordinates of the two different conformations of that particular ligand in one pdb, after modeling in Coot individually, and then changed the occupancy to 0.5 for each of the conformation. However, I couldn't manage to refine this pdb in Refmac.
Thanks in advance!

Best regards,
Matt


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Matthew LH Chu
PhD Student
School of Pharmacy and Pharmaceutical Sciences
University of Manchester
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Matthew LH Chu
PhD Student
School of Pharmacy and Pharmaceutical Sciences
University of Manchester
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