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MAVIS: an interactive visualization tool for computational chemistry calculations in a distributed networked

C I Parkinson1, M D Cooper, W T Hewitt

  • 1Department of Chemistry, University of Manchester, UK.

Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing
|August 11, 1998
PubMed
Summary

This paper introduces MAVIS (Molecular Animation and VI-sualization System), a software tool for visualizing chemical systems and managing computational results. MAVIS enhances scientific research through flexible molecular visualization and data analysis capabilities.

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Area of Science:

  • Computational Chemistry
  • Scientific Visualization
  • Molecular Modeling

Background:

  • Existing tools lacked integrated visualization and computational result management.
  • Need for a flexible, user-friendly platform for chemical system analysis.

Purpose of the Study:

  • To develop MAVIS (Molecular Animation and VI-sualization System) for visualizing chemical systems.
  • To create a tool for managing computational chemistry results in a networked environment.

Main Methods:

  • Developed MAVIS as a suite of modules using the AVS (Advanced Visualisation System) environment.
  • Leveraged AVS for rendering, portability, and ease of module extension.

Main Results:

  • MAVIS provides a powerful and flexible platform for molecular visualization.

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  • The system facilitates the generation, submission, monitoring, and study of computational results.
  • MAVIS is portable across various platforms due to its AVS foundation.
  • Conclusions:

    • MAVIS offers an integrated solution for chemical system visualization and computational data management.
    • The software enhances user focus on functionality and interface design, abstracting rendering complexities.
    • MAVIS is a versatile tool for the chemistry research community.