md-manager 2.4.0

A python module that allow molecular dynamics data analysis based on pandas DataFrames.

MD-manager: Protein Conformation Analysis Toolkit

MD-manager is a set of python functions and methods that provide easy acess and manipulation of data for molecular dynamics simulations. Python package designed for analyzing protein structure and conformational properties. This toolkit allows users to calculate various structural features such as bond angles, dihedral angles, backbone and side-chain conformations, and more. It is developped in the research group of Physics Applied to Proteins at université de bougrogne.

Installation:

As MD-manager is still in early stage of development, it is not yet available on the pypi code base.

git clone https://github.com/NicolasPetiot/md_manager
cd md_manager
pip install .

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