From: Christoph Steinbeck <steinbeck@ic...> - 2002-08-21 08:10:29
> Can anyone point me a java package to convert SMILE to Molfiles?
Our open-source library "The Chemistry Development Kit (CDK)" for
structural chemo- and bioinformatics can do that.
It requires the sequential use of SmilesParser,
StructureDiagramGenerator and MDLWriter. After download, you can refer
to the code snippets in the test package in order to learn how to write
If you have further questions after reading the documentation, do not
hesitate to contact cdk-devel@...
Dr. Christoph Steinbeck (http://www.ice.mpg.de/departments/ChemInf)
MPI of Chemical Ecology, Winzerlaer Str. 10, Beutenberg Campus, 07745
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..