> [#6]~1~[#6]~[#6]~2~[#6]~[#6]~[#6]~[#6]~[#6]~2~[#6]~1 Alternatively, if you open compounds in Avogadro, there is a "Select SMARTS" which can also help debugging patterns.
-Geoff ------------------------------------------------------------------------------ Dive into the World of Parallel Programming The Go Parallel Website, sponsored by Intel and developed in partnership with Slashdot Media, is your hub for all things parallel software development, from weekly thought leadership blogs to news, videos, case studies, tutorials and more. Take a look and join the conversation now. http://goparallel.sourceforge.net/ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss