On Wed, Oct 17, 2012 at 11:04:55AM +0200, Fredrik Wallner wrote: > If you build up the molecule from within OpenBabel, chances > are that that molecule will be possible to describe as a > SMILES string which is valid SMARTS.
This, and also look at the thread "[OpenBabel-scripting] text representation of SMARTS objects?" at 2011.07.07 in which Geoff pointed to GetSMARTS() method http://openbabel.org/api/2.3/classOpenBabel_1_1OBSmartsPattern.shtml#a52d9a732c39944ff60d06aeacb96617c Reinis ------------------------------------------------------------------------------ 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_sfd2d_oct _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
