[Cdk-devel] SMILES parser now available

[Christoph S. <ste...@ic...>]

Hi everybody,

motivated by Oliver's contribution I finally found the time to port the 
old compchem smiles parser. It does the SSMILES specification and the % 
tag for more than 10 open rings at a time.
There is some yet incomplete code for specifying atoms in [] brackets, 
but this has still to be completed.
A test is available

Have fun.

Cheers,

Chris

-- 
Dr. Christoph Steinbeck (http://www.ice.mpg.de/departments/ChemInf)
MPI of Chemical Ecology, Winzerlaer Str. 10, Beutenberg Campus, 07745 
Jena, Germany
Tel: +49(0)3641 571263 - Fax: +49(0)3641 571202

What is man but that lofty spirit - that sense of enterprise.
... Kirk, "I, Mudd," stardate 4513.3..