[phenixbb] multiple occupancy
Damian.Niegowski at ki.se
Mon Jan 28 04:54:14 PST 2013
I´m trying to refine a dataset which seems to have two different ligands with partial occupancy in the same active site. How do you refine this? When I put
them over each other with say 50/50 occupancy Phenix either moves the ligands apart or mashes the two molecules into one strange composite
ligand. In Refmac this works without any special settings, it accepts the occupancy distribution between the ligands. Any ideas?
Damian Niegowski Ph.D.
Institute of Medical Biochemistry and Biophysics
Scheeles väg 2
171 77 STOCKHOLM
e-mail: damian.niegowski at ki.se
phone: 0046 8 524 876 33
fax: 0046 8 736 04 39
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