Abstract The principles of molecular graphics are discussed in context with the optimization of man-machine communication in molecular sciences. The state of the art in this field is demonstrated with several examples. The paper is focussed on the discussion of a strategic basis of the information transfer between human activities and computational processes. It is demonstrated that enhancement of interactivity in the visualization process may lead to the generation of new insight on one side and the development of new computational algorithms based on the human visual pattern recognition strategy.
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