One thing you could try is rather than use SMARTS to write some code to check for membership of the LSSR. I've never really looked into this, but it may be what you are looking for.
- Noel On 21 March 2013 21:45, mbloodforsythe <martin.bloodforsy...@gmail.com> wrote: > I wasn't familiar with the shortcomings of SSSR identification, but it makes > complete sense. I know that Daylight determines 'R' membership using SSSR > (http://www.daylight.com/dayhtml/doc/theory/theory.smarts.html), so it seems > likely that the SMARTS default would be to determine 'r' using SSSR as well. > > Any thoughts on: > (a) how to track down if this is the issue? > (b) what to do about it other than just move to using OpenEye? > > Since I devoted quite a bit of time to developing scripts in PyBel for > processing these molecules I'd really like to stay within OpenBabel SMARTS > searching if I can. > > > > -- > View this message in context: > http://forums.openbabel.org/5-membered-ring-SMARTS-matching-problem-tp4656088p4656090.html > Sent from the General discussion mailing list archive at Nabble.com. > > ------------------------------------------------------------------------------ > Everyone hates slow websites. So do we. > Make your web apps faster with AppDynamics > Download AppDynamics Lite for free today: > http://p.sf.net/sfu/appdyn_d2d_mar > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_d2d_mar _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
