Abstract

A system of computer programs for interactive representation of crystalline architecture and organization is presented. This program allows the unit cell and its contents to be rotated with respect to any selected reference frame. Molecular representations such as the stick model or the solid ball-and-stick model can be selected. Two graphic modes are available. The first is the conventional projection, in which color may be used extensively to differentiate different atomic species and distinct molecules. The second mode makes use of a stereoscopic representation and yields a three-dimensional view of the structure, which can be interactively modified. Several other user-friendly features are available, including a selective erase/restore procedure and an interactive change of the representation parameters. The program also offers the possibility of calculating and displaying specific intermolecular bonds such as hydrogen bonds or metal-ligand bonds.