Hi, I forgot this reason for not using CDK SMILES parser : in the comment for the SmilesParser class, there is "So far only the SSMILES subset and the '%' tag for more than 10 rings at a time are supported". Since I wanted to use more than just the SSMILES subset, I choose not to use it. Maybe the comment is not accurate any more, and the parser deals with the full SMILES definition ?
Nicolas >De: Egon Willighagen <[EMAIL PROTECTED]> >CDK has a fairly feature complete SMILES parser (no stereo), and also a >partial SMARTS parser (SMARTS is the substructure definiation variant of >SMILES). ------------------------------------------------------- SF email is sponsored by - The IT Product Guide Read honest & candid reviews on hundreds of IT Products from real users. Discover which products truly live up to the hype. Start reading now. http://ads.osdn.com/?ad_ide95&alloc_id396&op=click _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
