Dear Egon, Message de Egon Willighagen <[email protected]>:
> Dear Jean-Marc, > > On Mon, May 17, 2010 at 11:02 PM, JEAN MARC NUZILLARD > <[email protected]> wrote: >> The code generates an exception during the surface calculation >> and I would like to know for >> which reason and what could be done as a remedy. > > Can you give us the Exception too, please? Sure. The NullPointerException is thrown, and the "Error in surface area calculation" message is displayed. I have checked that the container is not empty and contains the expected number of atoms. Jean-Marc Nuzillard ------------------------------------------------------------------------------ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
