Production of Chemical Structure Drawings Using an Interactive Graphics System

摘要

This report describes a series of computer programs which allows drawings of complex chemical structures to be displayed on a graphic terminal, to be modified using the graphical input devices and finally, to be drawn by an incremental plotter. The system thus provides a means for the interactive development of chemical structure diagrams and for the production of high quality drawings suitable for inclusion in published reports. The system is based on the graphical definition of several hundred chemical groups. The structure of more complex compounds can be built up from these basic units and displayed to the user. Optional features of the system include variation of the scale of drawing, interactive modification of the drawings using a light pen and automatic detection and prevention of drawing overlaps. (Author)