> central rotors (with early termination to avoid repetition). In short,
> this code is supposed to be part of OBForceField, and I was wondering
> could I put it in there as private, and then call it from Gen3D
> somehow using friend classes and so forth.
No API changes in the 2.3 series, but what
OB 2.3 came out when I was working on Confab and I resisted pushing in
some new code at the last minute. Now I'm wondering whether I can get
in there and not upset the API.
Specifically, I have in Confab a quick low energy conformation finder
that greedily optimises each rotor in turn starting fro
