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MDTraj: a modern, open library for the analysis of molecular dynamics trajectories

bioRxiv

Sep 9, 2014

Robert Treiman McGibbonVijay S. Pande

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Abstract

Summary: MDTraj is a modern, lightweight and efficient software package for analyzing molecular dynamics simulations. MDTraj reads trajectory data from a wide variety of commonly used formats. It provides a large number of trajectory analysis capabilities including RMSD, DSSP secondary ...read more

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Computer Software
Molecular Dynamics
Simulation
Extraction
Structure
Statistical Analysis
Public Entity
Analysis
8
15
Paper Details
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  • MDTraj: a modern, open library for the analysis of molecular dynamics trajectories

    bioRxiv

    Sep 9, 2014

    Robert Treiman McGibbonVijay S. Pande

    PMID: 990008896

    DOI: 10.1101/008896

    Abstract

    Summary: MDTraj is a modern, lightweight and efficient software package for analyzing molecular dynamics simulations. MDTraj reads trajectory data from a wide variety of commonly used formats. It provides a large number of trajectory analysis capabilities including RMSD, DSSP secondary ...read more

    Mentioned in this Paper

    Computer Software
    Molecular Dynamics
    Simulation
    Extraction
    Structure
    8
    15
    Paper Details
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