The display of molecular models with the AMES interactive modeling system (AIMS)

Abstract

The graphics capability (DISPLAY) of a large scale interactive molecular modeling system (AIMS) is described and discussed.DISPLAY allows the transparent use of a lower level graphics network GRANET. GRANET provides communication links and software packages unifying an aggregate of computers and graphics systems at Ames Research Center. The graphics devices used by DISPLAY are analyzed in terms of their display capabilities and other features. The Evans and Sutherland Picture System (E&S) with its interactive capabilities is seen to be one of the most powerful devices used by DISPLAY. The DISPLAY subsystem can present molecular models in any of three graphic formats—wireframe, ball and stick and space-filling. The software comprising DISPLAY provides five major features: (1) DIRECT—which allows models to be viewed directly from a molecular library: (2) STATIC—which provides a means of producing single plots on several types of recording media: (3) DYNAMIC—which supports the production of multiple frame plot files: (4) BEZIER—where the representation of a model is given in terms of control points and parametric patches which define its surface: and (5) SCANLINE—whereby raster techniques are used to build an image of a model line by line. These features are discussed in terms of their software implementation, conceptual content, and application to ongoing research. It is found that despite certain limitations, the system provides a useful assortment of graphics which aid the researcher in model visualization and understanding.