refinement {
refine {
occupancies {
constrained_group {
selection = chain A and resseq 256 and altloc A or \
chain S and resseq 114
selection = chain A and resseq 256 and altloc B
}
}
}
}
Dear all,
I am trying to do use constrained groups with occupancy refinement but struggling with syntax. I am trying to define selection1 as 2 different atoms and selection2 as another 2 different atoms. Therefore I want the 2 atoms in selection1 to have the same occupancy and the atoms in selection2 to have the same and the sum of selection 1 and 2 will be 1. If someone could help me with this syntax I would appreciate it! I have tried using brackets to separate selections but phenix doesn't recognize this.
I can provide more information if needed, it's just a complicated scenario.
Thanks!
Nick
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