On Mon, Apr 7, 2008 at 5:31 PM, Gianfranco <[EMAIL PROTECTED]> wrote: > the function > AtomContainerManipulator.perceiveAtomTypesAndConfigerAtoms(molecule) > seems to return an exception (nullPointer) when I parse molecules > containing N atoms > with 4 bonds, example is [NH3+]C(C(C)C)(C#N)C > > Is this a bug?
It sounds like a bug... but I'm sure I added this atom type... might you please paste the molecule.toString() ? Egon -- ---- http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- This SF.net email is sponsored by the 2008 JavaOne(SM) Conference Register now and save $200. Hurry, offer ends at 11:59 p.m., Monday, April 7! Use priority code J8TLD2. 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
