Hi Maia, refinement of occupancies is probably the most documented topics in phenix.refine: http://www.phenix-online.org/documentation/refinement.htm#anch20 so your option number 1 is to check out this section of phenix.refine manual. The option number 2 is to send me your PDB file and tell which atoms you want to relate as alternative conformations in occupancy refinement, and I will send you back a working example (or I will ask more questions off-list if your inputs are not sufficient to produce the unique sugestion). Pavel. P.S.: I will not have internet access all day tomorrow (Friday) till late night. On 12/22/10 6:35 PM, Maia Cherney wrote:
Hi phenixers I need to connect the conformation A to a ligand 1 and the conformation B to a ligand 2. I need to get the group occupancies for conformation 1 and ligand 1 (group 1) and group occupancies for conformation B and ligand 2. I could not get the right groups together. Your selections in the groups does not provide for alternative conformations having different ligands.
Could you help me?
Maia