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