> (I would naively expect "CC" + "CCO" to produce "CCCC" and H2O, but
There are obviously multiple possible *chemical* things one could imagine. But there’s no way code can or should make assumptions about chemical transformations. We do have a chemical transformation class for handling reactions/modifications. -Geoff ------------------------------------------------------------------------------ October Webinars: Code for Performance Free Intel webinars can help you accelerate application performance. Explore tips for MPI, OpenMP, advanced profiling, and more. Get the most from the latest Intel processors and coprocessors. See abstracts and register > http://pubads.g.doubleclick.net/gampad/clk?id=60135991&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
