Maybe this will help?
https://bl831.als.lbl.gov/~jamesh/scripts/refmac_occupancy_setup.com
Make a pdb file of the residues you want to occupancy-refine and put it
on the command line of this script, along with the word "allatoms".
This will generate a file called "refmac_opts_occ.txt" that you
Dear CCP4 community,
I am refining several structures of multimeric protein-ligand complexes and I
wanted to refine occupancy of the ligand. Manual definition of groups would be
tedious and error prone considering that ASU contains 10 protein chains and 1-8
bound ligand molecules. Hence my ide
