> Thus, a force field can be used to generate 3D coordinates. Do these 3d coordinates define a closed surface?
I am wondering whether or not these calculations should be made in the context of CDK. Perhaps the JmolModelAdapter can be extended to allow one to pass sets of coordinates that define a shape. That would allow Jmol to display the orbital calculations that are already part of CDK. Miguel ------------------------------------------------------- This SF.net email is sponsored by: SF.net Giveback Program. Does SourceForge.net help you be more productive? Does it help you create better code? SHARE THE LOVE, and help us help YOU! Click Here: http://sourceforge.net/donate/ _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
