[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

+++++++++++++++++++++++++++++++
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
+++++++++++++++++++++++++++++++




More information about the phenixbb mailing list