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JCC
2000

The molecular modeling toolkit: A new approach to molecular simulations

13 years 3 months ago
The molecular modeling toolkit: A new approach to molecular simulations
The Molecular Modeling Toolkit is a library that implements common molecular simulation techniques, with an emphasis on biomolecular simulations. It uses modern software engineering techniques (object-oriented design, a high-level language) in order to overcome limitations associated with the large monolithic simulation programs that are commonly used for biomolecules. Its principal advantages are (1) easy extension and combination with other libraries due to modular library design, (2) a single high-level general-purpose programming language (Python) is used for library implementation as well as for application scripts, (3) use of documented and machine-independent formats for all data files, and (4) interfaces to other simulation and visualization programs.
Konrad Hinsen
Added 18 Dec 2010
Updated 18 Dec 2010
Type Journal
Year 2000
Where JCC
Authors Konrad Hinsen
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