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On Jul 7, 2008, at 6:32 PM, Bala B K wrote: > Thanks for the quick reply Stefan. The only reason I needed the > different smiles string is to distinguish between the strings when > converted to lower case. I know they are not legal smiles, but I am > storing all of them in lower case. In that case, the difference > between benzene and cyclohexane are lost, unless I can generate the > alternating single/double bonds OR explicitly represent the aromatic > bonds. Out of curiosity, why are you converting all SMILES to lower case (and hence loosing information)? You mention string comparisons - are you doing some sort of search or normalization? - ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84 - ------------------------------------------------------------------- I saw Elvis. He sat between me and Bigfoot on the UFO. -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.8 (Darwin) iEYEARECAAYFAkhynBsACgkQZqGSLFHnnoQbbQCgkZcClaqXhEhToi+uDtfYt9SQ 2swAn0EpVb+2YBqVsUci49WrjRPPXVU+ =G+nY -----END PGP SIGNATURE----- ------------------------------------------------------------------------- Sponsored by: SourceForge.net Community Choice Awards: VOTE NOW! Studies have shown that voting for your favorite open source project, along with a healthy diet, reduces your potential for chronic lameness and boredom. Vote Now at http://www.sourceforge.net/community/cca08 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
