The visualization of 3D volume data of proteins synthesized by quantum mechanics is a new topic and is of great importance in modern bio-computing. In this paper, we introduce our primary attempts on the volume visualization of the 3D macro-molecular scalar field. Firstly, we transform one protein molecular structure into a regularly sampled 3D scalar field according to the theories in quantum chemistry, in which each node records the combined effect of different actions in protease. We then exploit volume rendering techniques to find the macro-structure inside the data field based on a convenient mapping mechanism. We also propose an improved transfer function mode, facilitating the flexible visualization of the 3D protein data sets. Finally, combined with the iso-surface extraction technique, our approach allows for interactive exploration of the potential “tunnel” region which exhibits biological sense. With our approach, we show the escape route of water molecules hidden in the HIV-1 protease, which conforms to the experimental results.
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