MDToolbox.jl

MDToolbox: A Julia toolbox for statistical analysis of molecular dynamics trajectories

Being ported into Julia from the original MATLAB version https://github.com/ymatsunaga/mdtoolbox

Julia version 1.0 or later is required.

pkg> add https://github.com/ymatsunaga/MDToolbox.jl.git
julia> using MDToolbox

Docker image is available. MDToolbox can be used within Jupyter Lab.

# Terminal
$ docker run --rm -p 8888:8888 -e JUPYTER_ENABLE_LAB=yes -v "$PWD":/home/jovyan/work ymatsunaga/mdtoolbox.jl
# within Jupyter Lab
using MDToolbox

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MDToolbox: A Julia package for statistical analysis of molecular dynamics trajectories

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