[phenixbb] occupancy of a part of a ligand

Maia Cherney chern at ualberta.ca
Wed Feb 10 08:37:38 PST 2010

Hi Pavel,

I have a ligand (ADP or ATP) that partially lost the last phosphate 
group. Can I refine a group occupancy for the adenosine part of the 
ligand separately from the phosphate groups of this ligand. If I do 
atomic occupancies, they diminish for the terminal phosphate groups. I 
can imagine that I can refine them as two superposed ligands with 
different numbers of phosphates, but is it possible to do just different 
group occupancies for parts of the ligand?


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