I didn't notice any InChI limit at 1000 atoms. On 9 October 2013 02:25, Geoffrey Hutchison <geoff.hutchi...@gmail.com> wrote: > It's not a limit in *parsing*. It's a limit in *writing* the SMILES. Open > Babel will read in any length SMILES. At the moment, it stops before > exporting a molecule > 1000 atoms. > > Since there's interest, I just committed a patch to the github "master" to > remove this limit. Please give me feedback. > http://github.com/openbabel/openbabel > > As for InChI, any limit isn't on our side. The InChI code is a mess, so > you're better off asking the InChI Trust (IUPAC) what the problem is. > > -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=60134071&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=60134071&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
