On Oct 29, 2009, at 7:49 PM, Chris Swain wrote: > The SMILES definition of aromaticity would seem to be an excellent > solution.
Except when it isn't. That's why different people and different software have different aromaticity models. I wrote some about this in http://www.dalkescientific.com/writings/diary/archive/2007/11/30/ opensmiles_and_aromaticity.html and pointed out that OpenEye's OEAssignAromaticFlags implements "the Daylight, Tripos, MMFF and MDL definitions." Andrew da...@dalkescientific.com ------------------------------------------------------------------------------ Come build with us! The BlackBerry(R) Developer Conference in SF, CA is the only developer event you need to attend this year. Jumpstart your developing skills, take BlackBerry mobile applications to market and stay ahead of the curve. Join us from November 9 - 12, 2009. Register now! http://p.sf.net/sfu/devconference _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
