> Can anyone point me a java package to convert SMILE to Molfiles? > > Thanks, > > Ge
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 this code. If you have further questions after reading the documentation, do not hesitate to contact [EMAIL PROTECTED] 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.. ------------------------------------------------------- This sf.net email is sponsored by: OSDN - Tired of that same old cell phone? Get a new here for FREE! https://www.inphonic.com/r.asp?r=sourceforge1&refcode1=vs3390 _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
