lab-tools

This is a collection of tools for daily work in the lab. The main goal is to automate some boring tasks and make the work with molecular dynamics simulations more efficient.

Install

Just run

pip3 install git+https://github.com/jkrajniak/lab-tools.git

The main entry to the tools is md_tools, just type

md_tools --help

Content

• scripts - some more or less usefull scripts for daily work with HPC cluster, VOTCA or LaTeX ;-)
• examples - some examples of input files