On Tue, Apr 29, 2008 at 12:11 PM, Noel O'Boyle <[EMAIL PROTECTED]> wrote: > When coordinates are generated using cdk.modeling.ModelBuilder3D (CDK > 1.0.2), are they optimized with the forcefield?
Don't think so. Anyway care to port the UFF force field code in Jmol to CDK? Egon -- ---- http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- This SF.net email is sponsored by the 2008 JavaOne(SM) Conference Don't miss this year's exciting event. There's still time to save $100. Use priority code J8TL2D2. 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
