I think you need to think about solving your original problem in a different way. If you can post an example of the sort of molecule you are talking about and what the solution you would like to see, then maybe you will get some useful suggestions from this list.
- Noel On 6 March 2015 at 03:44, Ching Yen Shih <ching...@buffalo.edu> wrote: > Hi all, > > I want to identify the sequence of substructures(building blocks) in the > target molecules. I already know which building blocks are in the target > molecules. The building blocks might be linked or fused. So, I am wondering > if there is a notation for fused bond. Say, I have a SMARTS string for > benzene, is it possible I just add a notation between two benzene strings > and use it for searching naphthalene? > Or any other suggestion for this case about identifying the sequence? > > Thanks for your attention and time. > > Best, > Ching-Yen > > > ------------------------------------------------------------------------------ > 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 > ------------------------------------------------------------------------------ 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
