On Tue, Apr 1, 2008 at 2:45 PM, Andreas Schüller <[EMAIL PROTECTED]> wrote: > Hmmm, this looks like a SMILES round tripping problem to me.
Yes. > I suggest that the SmilesGenerator should produce lower case SMILES by > default now with the SmilesParser not deducing bond orders anymore but > setting the aromaticity flags. What do others think of this? Egon -- ---- http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- Check out the new SourceForge.net Marketplace. It's the best place to buy or sell services for just about anything Open Source. http://ad.doubleclick.net/clk;164216239;13503038;w?http://sf.net/marketplace _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
