The Smiles parser does not read stereochemstry, it just ignores it (I think Egon changed it not to fail but to ignore them, if I remember correctly). We should have that in JavaDoc. Stefan
On Wednesday 07 May 2008 21:49:08 Rajarshi Guha wrote: > On May 7, 2008, at 3:43 PM, Egon Willighagen wrote: > > On Wed, May 7, 2008 at 8:08 PM, Rajarshi Guha <[EMAIL PROTECTED]> > > > > wrote: > >> Hi, does the depiction code draw stereochemistry? Using N[C@@](F) > >> (C)C > >> (=O)O at http://cheminfo.informatics.indiana.edu/~rguha/tmp/ > >> dynsmi.html doesn't show any chiral bonds. Or is this a problem in > >> the SMILES parser? > > > > Like the way PubChem does it in ASN.1... as properties of bonds... > > > > Would have to check the source code, but I don't think the SMILES > > parser interprets the stereo info... > > Doesn't the JavaDoc say anything about that? > > Apparently not > > ------------------------------------------------------------------- > Rajarshi Guha <[EMAIL PROTECTED]> > GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84 > ------------------------------------------------------------------- > 186,282 miles per second: > It isn't just a good idea, it's the law! > > > > ------------------------------------------------------------------------- > This SF.net email is sponsored by the 2008 JavaOne(SM) Conference > Don't miss this year's exciting event. There's still time to save $100. > Use priority code J8TL2D2. > http://ad.doubleclick.net/clk;198757673;13503038;p?http://java.sun.com/java >one _______________________________________________ > Cdk-user mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/cdk-user ------------------------------------------------------------------------- This SF.net email is sponsored by the 2008 JavaOne(SM) Conference Don't miss this year's exciting event. There's still time to save $100. Use priority code J8TL2D2. http://ad.doubleclick.net/clk;198757673;13503038;p?http://java.sun.com/javaone _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
