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MutInf

MutInf is an analysis package written in Python, inline C, and R that analyzes data from Molecular Dynamics Simulations to identify statistically significant correlated motions and calculate residue-by-residue conformational entropies.

All code written by the above authors. I (Stefan Doerr) only updated the code to work with python 2.7 and packaged it for easy installation with pip.

For more information on the code, method and usage see: http://www.jacobsonlab.org/mutinf_manual/

Installation

Download and install miniconda from: https://docs.conda.io/en/latest/miniconda.html

git clone https://github.com/stefdoerr/mutinf
conda create -n mutinf python=2.7 pip
conda activate mutinf
cd mutinf
pip install .

Or directly install it from git

pip install git+https://github.com/stefdoerr/mutinf

Running

This will install a program called dihedral_mutent in your PATH.

Check the help with:

dihedral_mutent -h