Undo/RedoAlpha 7 now includes a new Undo/Redo system making it easy to undo accidental changes to models.
Simulator/Minimizer ImprovementsThe nanoENGINEER-1 simulator and minimizer have undergone major revisions since Alpha 6. A7 introduces our new and improved molecular force field. We have expanded the list of parameters from our initial testing set to include more atoms and bond types from among the main group elements. It is our intent to have all possible bond types for the first three rows of the main group of the periodic table (B-F, Al-Cl, Ga-Br, and H with all chemically possible combinations of single, double, and triple bonding) accounted for with the completion of the simulator work, except for bond torsion terms, which are planned for Alpha 8. Once this initial set is complete, we will welcome requests for other bond types.
To ensure the accuracy of the minimizer and, consequently, our new molecular force field model, we are developing tests which compare the minimizer output to quantum mechanical results performed at the same high level of theory (B3LYP/6-31+G(d,p)) as the force field itself. These tests have been run on a variety of small structures to cover as many of the force field parameters as possible.