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 from the central one. Then it repeats this with the other 15 permutations of the most 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. I have a feeling the answer is "no - wait till 2.4" but I thought I'd check before I just hack it in locally for myself. - Noel ------------------------------------------------------------------------------ EditLive Enterprise is the world's most technically advanced content authoring tool. Experience the power of Track Changes, Inline Image Editing and ensure content is compliant with Accessibility Checking. http://p.sf.net/sfu/ephox-dev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
