On 2013-10-25 04:33, Fredrik Wallner wrote: > Hi, > > Wouldn't this be good to have exposed directly in pybel? Seems a bit > non-intuitive to have to add the OBMols…
To a programmer it's plenty intuitive. What's not intuitive to this programmer is if a and b have more than one possible binding site, how does it pick one. Dima ------------------------------------------------------------------------------ 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
