Graphic manipulations of molecules: A stand-alone processing in a network environment

Abstract

Our graphics system is a part of the CRYSNET system, a network of intelligent remote terminals, each of which is a small complete system in itself. This type of terminal (a PDP 11/40) has the capability of stand-alone processing and yet has access to central computer centers for massive data bases and for large program libraries. Here, we see the merging of the apparent diverging trends for (1) larger and faster processing at large computer centers and (2) dynamic and interactive processing with minicomputers in local workshops. In such a network environment, our current graphics needs and applications are met and carried out with stand-alone processing. The current applications include (1) retrieval and display of molecules (from small inorganic structures to large protein structures), (2) three-dimensional (3-d) display of density contours, (3) display and manipulations of parts of large molecules in 3-d, (4) display and manipulations of semirigid molecular moeties to achieve optimum packing configuration in their crystalline states. In the context of these graphic applications, I would like to describe and characterize the organization of the software system.