working on completely overhauling the rotamer packing process
cleared away junk in RotamerPacker, but just getting started figuring out interesting tuples
added interesting and incompatible checks, sped up rotamer hashing
RotamerPacker compiles again
transition state chi angles are now dynamically generated
histidine and transition state chis are now searched
corrected minor angle bugs
interesting tuples code added but doesnt find partners yet, parallelized rotamer space population
working on making the tuples, almost done but doesn't compile yet
now finds interesting tuples, but need to tighten geometric criteria
tuples calculations are operational and passes DEEenergyCalculator check
DEE works with the new tuple generation