> My question is, is there a code that I could use to generate these strings, > or at least a source that would help me understand the rationale for > generating the substituted cyclohexane with a SMILES string?
There’s lots of documentation (and examples) on SMILES, e.g. http://opensmiles.org/opensmiles.html Moreover, you can take a SMILES string and insert it in Avogadro: http://manual.avogadro.cc/content/2-building-molecules/7-building-with-smiles.html Hope that helps, -Geoff ------------------------------------------------------------------------------ What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic patterns at an interface-level. Reveals which users, apps, and protocols are consuming the most bandwidth. Provides multi-vendor support for NetFlow, J-Flow, sFlow and other flows. Make informed decisions using capacity planning reports.http://sdm.link/zohodev2dev _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
