![]() Examples such as the CPK (Corey Pauling Koltun) and Dreiding models built upon earlier work going back to the mid-19th century, when chemists such as Hoffmann and Kekule built wooden ball-and-stick or wire models demonstrating element combining ratios or bond connectivity of simple chemical compounds. Physical models were the earliest interactive three-dimensional (3D) molecular visualization tools. Conversely over this time, the field of structural biology has helped to drive development and commercialization of computer graphics and visualization technologies. Graphics and visualization tools have been critical in enabling and catalyzing the remarkable progress of structural molecular biology from the past half century to today. Looking back on the development of what originally was termed “molecular graphics,” we see a history of invention and innovation driven by a need to comprehend the complex nature of the molecular world. This perspective is not meant to be exhaustive, but rather one person's perspective on a continually evolving field. ![]() We focus here on the how technical advances have changed the way we look at and interact with molecular structure. There are many good reviews of the history of molecular graphics and illustration. Moreover, the evolution of molecular graphics and the visualization of biomolecular structure demonstrate a significant symbiosis between science and the technology that enables it. These activities pre-date the advent of computer technology, as do the use of visualization tools in their service. Synthesis involves the process of creating a model to embody or integrate experimental observation or to develop and encompass a structural hypothesis.Īnalysis entails the examination and exploration of either data or models to explain observed phenomena, derive new hypotheses, or suggest new experiments.Ĭommunication involves the imparting or sharing of information and knowledge about the systems or methods under study. In general, visualization can aid in three functions that are essential components of the scientific enterprise and fundamental to our understanding of the “unseen” world of structural molecular biology: synthesis, analysis, and communication: ![]() The process of visualization, itself, implies human involvement since its ultimate impact is insight. ![]() Visualization has been an enabling technology in structural molecular biology for as long as the field has existed. ![]()
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