Hi, I'm wondering why adding alternate conformations to ligands (i.e. non amino acid residues) restricts the occupancy ratio to 50:50. I understand that ligands don't have rotamers (at least not ones that coot would know about) so I can't pick rotamers.... but I'd like to be able to specify the new occupancy with a little slide bar similarly to amino acid residues.
Having non-1.0 occupancies complicate things further: I have a ligand with a bromine atom that has partly fallen off at the synchrotron and I refined it with occupancy = 0.5 (1.0 for all other atoms). When I split this residue coot sets the occupancies to 0.5 for every atom, except for the first half of the Br which will have 0.0. Again, I understand the logic behind this... but wouldn't it be nicer to have 0.25 for both halves of the Br so that it adds up to the original 0.5? RSR and regularize zone are also problematic for ligands in alternate conformations: unless I click on atoms that are part of the split region, RSR and regularize make the ligand explode. JED
