[phenixbb] refine occupancy of partially overlapping ligands
Chris Ulens
chris.ulens at med.kuleuven.be
Tue Jul 14 10:45:33 PDT 2009
Hi,
I'm trying to refine the occupancy of 2 ligands that occupy the same
binding pocket in 2 *partially* overlapping orientations. Let's assume
I would define the ligands in 2 separate "chains" termed A and B.
Could the experts point me to the proper syntax to define the correct
group restraints to refine the occupancy?
Thank you.
Chris
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Chris Ulens, Ph.D.
Lab of Structural Neurobiology
Division of Pharmacology
Campus Gasthuisberg, ON1
Herestraat 49, PB 601
B-3000 Leuven
Belgium
Tel +32 16 345812
Fax +32 16 345699
Telepathy 2.69 GHz
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