Hi, does CDK InChi generator perceive atom valency in molecule differently from other parts of the kit? Problem is, I can read and process molecule, get atom valency, but when I try to generate InChi, it gives ERROR : Accepted unusual valence(s): C(3); N(4); Cannot process aromatic bonds even though when iterating through atoms and using getValency() returns C valency: 4 | C valency: 4 | C valency: 4 | C valency: 4 | C valency: 4 | C valency: 4 | N valency: 3 | C valency: 4 | N valency: 3 | O valency: 2 | C valency: 4 | C valency: 4 | C valency: 4 | C valency: 4 | C valency: 4 | C valency: 4 | O valency: 2 | O valency: 2 | N valency: 3 | O valency: 2 | C valency: 4 | C valency: 4 | C valency: 4 | C valency: 4 | C valency: 4 | O valency: 2 |
------------------------------------------------------------------------------ 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
