Hi Chris, you can do this in phenix.refine in at least two ways. One is explained here: http://phenix-online.org/documentation/refinement.htm#anch20 If you send me (to my email address, not to the whole bb) the PDB file and indicate which occupancies of which residues you want to refine, I can send you the corresponding command/syntax for doing this. Pavel. On 7/14/09 10:45 AM, Chris Ulens wrote:

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

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