Nice find. And here's a shorter test case: "obabel -:C1.1C -osmi"
The SMILES is invalid though. Ring closure symbols must appear to the right of an atom. The "1C" above should be written as "C1", or in your example as c%101cc. I'll fix the segfault... - Noel On 15 October 2013 13:02, Michal Krompiec <michal.kromp...@gmail.com> wrote: > Hello, > I found a bug in the SMILES parser which causes OB to crash (both when > called from the GUI and from pybel) on nonstandard (SMILIB-like) > SMILES: > > c1cc(%10)sc1.%10c1cc(C)c([Br])s1 > > Best regards, > Michal > > ------------------------------------------------------------------------------ > 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=60135031&iu=/4140/ostg.clktrk > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss ------------------------------------------------------------------------------ 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=60135031&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
