[Wikipedia-l] SMILES

Thu Apr 15 14:22:03 UTC 2004

I meant to say "adapted _as a render back-end_ for this".

The pipeline must be:
    parse SMILES string -
    generate graph of atoms and bonds  (possibly as CML?) -
    work out 2d/3d structure -
    generate graphical depiction of structure -
    render depiction to .PNG graphic (or to SVG as/when widely available?)

It looks like 
http://www-ra.informatik.uni-tuebingen.de/software/joelib/introduction.html
might be the solution to several of these problems. It's GPL / LGPL 
free/open-source software, reads SMILES, and can generate graphics and 
do lots of other things.

See 
http://www-ra.informatik.uni-tuebingen.de/software/joelib/screenshots/java.html
for some screenshots.

-- Neil