From: <nic...@sy...> - 2004-06-07 10:36:08
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Hi all, Some paths modifications have been made in SmilesGenerator(org.openscience.cdk.config instead of org.openscience.cdk.tools) but I don't think the changes are done for the SmilesParser class. I have an other (but new) problem with SmilesGenerator and molecules containing Sulfur atoms. For the case of 2 double bonds and 2 single bonds on this atom, the SmilesGenerator couldn't create corresponding smile. If you want more information about this molecule, I could send you the interesting part of it. Thanks for your help, Nico |