From: E.L. W. <eg...@sc...> - 2003-04-04 10:08:17
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On Friday 04 April 2003 11:58, Stefan Kuhn wrote: > Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/smiles > In directory sc8-pr-cvs1:/tmp/cvs-serv9000 > > Modified Files: > SmilesGenerator.java > Log Message: > Now makes chiral smiles for all 1640 structures in nmrshiftdb Did you also validate the generated SMILES strings? If so, how? Because CDK itself cannot read chiral SMILES at this moment... Egon |