Hi all, I have recently started using the CDK in my work and I was hoping that I could use it to generate an InChI representation from an isomeric SMILES. I've been able to generate the InChI for the canonical SMILES, however I've read that the SmilesParser doesn't yet provide full support for stereoisomers. I would just like to check that this is indeed the case and there is no work-around for this problem that I'm not aware of.
I have downloaded both v1.2.5 and the latest build of v1.3.x. Many thanks, Joanna -- The University of Edinburgh is a charitable body, registered in Scotland, with registration number SC005336. ------------------------------------------------------------------------------ ThinkGeek and WIRED's GeekDad team up for the Ultimate GeekDad Father's Day Giveaway. ONE MASSIVE PRIZE to the lucky parental unit. See the prize list and enter to win: http://p.sf.net/sfu/thinkgeek-promo _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
