[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?
Maia
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