On Feb 8, 2008 1:00 PM, Gianfranco <[EMAIL PROTECTED]> wrote: > smiles="O=c2cc(c1ccccc1)oc3ccccc23"; > IAtomContainer ac=sp.parseSmiles(smiles); > InChIGeneratorFactory factory = new InChIGeneratorFactory(); > InChIGenerator gen = factory.getInChIGenerator(ac); > String inchi=gen.getInchi(); > > I receive no Exception but I got a null for inchi. Why?
What is the return code and does warning message say? (See the InChIGenerator JavaDoc...) Egon -- ---- http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- 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 Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
