Recursive, object-oriented structures for molecular modeling
Abstract
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.
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- Recursive, object-oriented structures for molecular modeling
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Copyright © 1998 Authors.
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Association for Computing Machinery
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Published: 01 April 1998
Published in SIGBIO-NEWS Volume 18, Issue 1
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