Hi Raphael
> i have an atomcontainer where i don't know the connectivity of the > bonds. is there a helper class that can "automatically" add this > connectivity information to my atomcontainer maybe based on some > heuristics or so...? I don't think that at the moment CDK is able to added automatically bonds between atoms. One of the ways which could be implemented in CDK could be by comparing distances between the atoms with a table of average bond lengths. Best regards, Miquel ------------------------------------------------------------------------- Check out the new SourceForge.net Marketplace. It's the best place to buy or sell services for just about anything Open Source. http://ad.doubleclick.net/clk;164216239;13503038;w?http://sf.net/marketplace _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
