[phenixbb] occupancy refinement question
jbruning at gmail.com
Mon Aug 27 13:38:17 PDT 2007
I have a ligand with dual conformations. I want to do group occupancy
refinement on the conformers (each conformer is one group). I keep
having trouble. The ligand is one chain named chain E and conformer 1
has residue name ADRG and conformer 2 has residue name BDRG. This is
what I suppose my .def file should have in it:
individual = None
group = "chain E and resname ADRG"
group = "chain E and resname BDRG"
one_occupancy_group_per_residue = True
When I run this it tells me I have an ambiguous selection.
Any ideas why this isn't working and how I can change my .def file to
make it work?
More information about the phenixbb