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The Sigma MD programm and a generic interface applicable to multi-functional programs with complex, hierarchical command structure. (English) Zbl 1138.92332
Schlick, Tamar (ed.) et al., Computational methods for macromolecules: Challenges and applications. Proceedings of the 3rd international workshop on algorithms for macromolecular modeling, New York, NY, USA, October 12–14, 2000. Berlin: Springer (ISBN 3-540-43756-8). Lect. Notes Comput. Sci. Eng. 24, 129-145 (2002).
Summary: This article summarizes the Sigma program for molecular dynamics simulation and describes a generic web browser-based interface (“WASP”) applicable to programs with complex, hierarchical command structures. Use of the interface is illustrated with its application to the Sigma program (“Wigma”).
For the entire collection see [Zbl 0993.00062].
MSC:
92C40 Biochemistry, molecular biology
92-04 Software, source code, etc. for problems pertaining to biology
65C20 Probabilistic models, generic numerical methods in probability and statistics
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