Title

Recursive, object-oriented structures for molecular modeling

Keywords

Object-oriented; Physical modeling; Simulation

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 using either OpenGL or the Visualization Toolkit (\TK), an application-independent scientific visualization library.

Publication Date

2-27-1998

Publication Title

Proceedings of the ACM Symposium on Applied Computing

Volume

02-February-1998

Number of Pages

50-54

Document Type

Article; Proceedings Paper

Personal Identifier

scopus

DOI Link

https://doi.org/10.1145/330560.330569

Socpus ID

85002487089 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/85002487089

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