GRIDVIEW - A WINDOWS PROGRAM FOR VISUALIZATION OF POTENTIAL-ENERGY SURFACES

GRIDVIEW is a Windows program that enables the potential energy surfac es generated by MOPAC (6 and 93) GRID calculations to be visualized an d analyzed. The program facilitates the exploration of these surfaces by producing contour and feature maps. The maps are ''live'' in that s ingle/multiple points can be selected for structure viewing/animation (requires an XYZ file viewer such as RE_VIEW). A series of sample simu lations have been used to test GRIDVIEW and both the executable (16 bi t and 32 bit) and source codes (Visual BASIC 4) are included in the fu ll paper. (C) 1997 Elsevier Science B.V.