Dear Andrew, Thank you!
And for this one C[C@@]12CC[C@@](C)(CC1)O2O any idea Cause your tool failed too. BR, Guillaume Le 16.04.18 16:22, « Andrew Dalke » <[email protected]> a écrit : If you try this out with my smiview package, available from https://bitbucket.org/dalke/smiview/downloads/ , it reports: % smiview 'C\(C(C)C)=N/O' Cannot parse --smiles: Unexpected term C\(C(C)C)=N/O ^ Tokenizing stopped here A bond must be followed by an atom, closure. That is, the bond symbol '\' may not be followed by a branch. (And I should improve that error message so it's more explicit.) I think you are looking for the SMILES "C(\C(C)C)=N/O". Andrew [email protected] > On Apr 16, 2018, at 16:15, Guillaume GODIN <[email protected]> wrote: > > Dear All, > > Anyone know why this smile is not parse correctly ? > > C\(C(C)C)=N/O > > Best regards, > > Guillaume > *********************************************************************************** > DISCLAIMER > This email and any files transmitted with it, including replies and forwarded copies (which may contain alterations) subsequently transmitted from Firmenich, are confidential and solely for the use of the intended recipient. The contents do not represent the opinion of Firmenich except to the extent that it relates to their official business. > *********************************************************************************** > ------------------------------------------------------------------------------ > Check out the vibrant tech community on one of the world's most > engaging tech sites, Slashdot.org! http://sdm.link/slashdot_______________________________________________ > Rdkit-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss *********************************************************************************** DISCLAIMER This email and any files transmitted with it, including replies and forwarded copies (which may contain alterations) subsequently transmitted from Firmenich, are confidential and solely for the use of the intended recipient. The contents do not represent the opinion of Firmenich except to the extent that it relates to their official business. *********************************************************************************** ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
