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MD Display: an interactive graphics program for visualization of molecular dynamics trajectories

T J Callahan1, E Swanson, T P Lybrand

  • 1Computer Science Division, University of California, Berkeley, USA.

Journal of Molecular Graphics
|February 1, 1996
PubMed
Summary
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MD Display visualizes molecular dynamics trajectories from Amber simulations. This software now supports additional molecular dynamics programs, enhancing its utility for researchers.

Area of Science:

  • Computational chemistry
  • Molecular modeling

Background:

  • Molecular dynamics simulations generate large trajectory datasets.
  • Visualizing these trajectories is crucial for analysis and interpretation.

Purpose of the Study:

  • To introduce MD Display, a software tool for molecular dynamics trajectory visualization.
  • To report on the expansion of MD Display's input compatibility.

Main Methods:

  • MD Display was developed for Silicon Graphics workstations.
  • It offers a user-friendly interface with display and analysis features.
  • The program was extended to process input from multiple molecular dynamics packages.

Main Results:

  • MD Display provides effective visualization of molecular dynamics data.

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  • The software's compatibility has been broadened beyond Amber.

    • Conclusions:

    • MD Display is a valuable tool for researchers analyzing molecular dynamics simulations.
    • Its expanded input support increases its applicability across different simulation packages.