Staff Klaus Engel Visualization and Interactive Systems Group Institute of Computer Science University of Stuttgart Prof. Dr. Thomas Ertl Visualization and Interactive Systems Group Institute of Computer Science University of Stuttgart Dr. Wolf-Dietrich Ihlenfeldt   Computer-Chemie-Centrum Institute of Organic Chemistry University of Erlangen-Nürnberg Frank Oellien   Computer-Chemie-Centrum Institute of Organic Chemistry University of Erlangen-Nürnberg