> c12=c3c(c4c(c5c(c1csc2)csc5)csc4)csc3 5860502 > C12C(C3C(C4C(C5C1CSC5)CSC4)CSC3)CSC2 5860502
> c12=c(nn2)ssnc1S 6137697 > c12c(nn2)ssnc1S 6137697 I've been looking at very similar SMILES for the kekulize code. As a general question -- is it ever OK to output a '=' between two aromatic atoms? I haven't thought of a good example yet. -Geoff ------------------------------------------------------------------------------ Beautiful is writing same markup. Internet Explorer 9 supports standards for HTML5, CSS3, SVG 1.1, ECMAScript5, and DOM L2 & L3. Spend less time writing and rewriting code and more time creating great experiences on the web. Be a part of the beta today. http://p.sf.net/sfu/beautyoftheweb _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
