Description:
<jats:p>In this paper, we present a molecular modeling approach based on recursive object-oriented class instances. Our approach allows ease of use by the scientist and includes a heuristic for evaluating molecular interaction and rendering at multiple levels of detail. Our implementation in C++ employs abstractions to encapsulate the implementation and details of the computations. Visualization is accomplished with OpenGL or the Visualization Toolkit (VTK), an application-independent scientific visualization library.</jats:p>