Groups are at the core of Jmol for PDB files, which are among the largest
(slowest to process). They are key to all processing, including rendering.
The idea of going from a "one-group simple pointer" method to a
"multi-group look-up table" for something that is not a core molecular
property is not really an option. There must be another way.
I may have missed a message, but a "one to many" relationship is what
bitsets are for. You create multiple groupings, each of which is a set of
atoms. Then an atom can be in any number of these, you can select atoms
based on selecting groupings, and you can use logical and/or operators on
the bitsets to cross them and see which atoms are in their intersection.
grp1 = {temperature > 50}
grp2 = {radius < 1.5}
grp3 = grp1 and grp2
select grp3
color blue
etc.
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