Molecular shape embedding in a grid stage: modelling and animation

A computer system is proposed for bi or tri-dimensional graphic display of various structural shapes (molecular bodies) and property shape representations (one electron properties, electrostatic potential…). Calculation spaces, linked to molecular coordinates, are jointly handled within a unique representation space structured as a 3 D stage or grid Box. The Box fixed coordinates ensure Boolean and geometric operations through interactive graphic sub-systems. Direct images, subimages and composite images can be generated, as well as processed data and/or images. The polymodelling system presented — POLYMOD — leads to rapid and original animation operations on modelizations based on lengthy calculations.