Hi, I’ve added a few more patterns and after some coaching from Matt added them to GitHub.
One pattern I can’t get to work is an aniline, I’ve tried various permutations including #aniline TRANSFORM [N^3]c1ccccc1 >> [N+:1]c1ccccc1 4.6 Nc1ccccc1 >>[ N+:1]c1ccccc1 4.6 Is it possible that the aniline nitrogen is not seen as an aliphatic nitrogen? Cheers, Chris ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
