On Sat, Sep 3, 2011 at 9:21 PM, Susur Kicěk <[email protected]> wrote: > Hi, does CDK InChI generator perceive atom valency in molecule > differently from other parts of the kit?
Yes. The atom typer of the InChI software in not accessible separately, not from Java, but not from C either, AFAIK. But, the should be close enough... I'll comment on Nina's email too... Egon -- Dr E.L. Willighagen Postdoctoral Researcher Institutet för miljömedicin Karolinska Institutet (http://ki.se/imm) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ Special Offer -- Download ArcSight Logger for FREE! Finally, a world-class log management solution at an even better price-free! And you'll get a free "Love Thy Logs" t-shirt when you download Logger. Secure your free ArcSight Logger TODAY! http://p.sf.net/sfu/arcsisghtdev2dev _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
