On Thu, May 22, 2008 at 7:12 AM, Nina Jeliazkova <[EMAIL PROTECTED]> wrote: >> Furthermore if run your code using CCCCC as the input SMILES it works >> fine. So I'm guessing that the problem is with the 3D structure >> generation code. > > Couple of months ago I was told 3D generation code does not work well > currently - are there any changes of this status recently?
No, the look up of templates for ring systems is still broken... 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 [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
