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MD DaVis: interactive data visualization of protein molecular dynamics

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SUMMARY Molecular dynamics (MD) simulations have become an integral part of biomolecular study. Most MD software suites do not include analysis tools and those which do create very basic visualizations.… Click to show full abstract

SUMMARY Molecular dynamics (MD) simulations have become an integral part of biomolecular study. Most MD software suites do not include analysis tools and those which do create very basic visualizations. MD DaVis (Molecular Dynamics Data Visualizer) is a python package developed to facilitate quick comparative analysis of MD trajectories of similar proteins or the same protein under different conditions. MD DaVis can quickly generate interactive visualization from molecular dynamics trajectories with a few simple steps. Interactive plots eliminate the need to make multiple plots for comparison, improving productivity and saving time. AVAILABILITY MD DaVis is an open-source Python 3 package (https://pypi.org/project/md-davis/) distributed under MIT license. The source code is available at https://github.com/djmaity/md-davis or https://doi.org/10.5281/zenodo.6227047. SUPPLEMENTARY INFORMATION Supplementary data are available at Bioinformatics online.

Keywords: visualization; molecular dynamics; davis interactive; data visualization; interactive data; visualization protein

Journal Title: Bioinformatics
Year Published: 2022

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