Hi all. I found that everytime I use smiles containing the '[s+]' item the aromaticy detector gives a nullpointer exception.
For example: IAtomContainer atomContainer; String SMILES="[s+]1c2c(nc3c1cccc3)cccc2"; atomContainer = sp.parseSmiles(SMILES); CDKHueckelAromaticityDetector.detectAromaticity(ac); do you know why? thanks a lot -- Gianfranco Frau CRS4 - Bioinformatics Phone +39 070 9250 438 Loc. Pixina Manna Edificio 1 Pula 09010 (CA), Italy http://www.bioinformatica.crs4.org msn contact: [EMAIL PROTECTED] ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2008. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
