Related to this - is there a straightforward way to identify how many “copies” of a given particle are present in a particular class?
Let’s say in @DanielAsarnow’s example of a dimer, there is something binding to each monomer with partial occupancy. in that case we have dimers with 0, 1, and 2 monomers in the bound configuration.
Is there an easy way to separate out these states after symmetry expansion and classification?
With remove duplicates I can separate 1 vs 2 - but what about higher order oligomers? E.g. for a hexamer, how would I identify which particles have all six protomers in the bound configuration?
Cheers
Oli