hole2-mdakit

🖋️ Authors: hole2-mdakit authors

🏠 Project home: https://github.com/MDAnalysis/hole2-mdakit

📖 Documentation: https://www.mdanalysis.org/hole2-mdakit/

⚖️ License: GPL-3.0

🔑 Keywords: pores, ion channels, transporters, HOLE

🚀 Development status: Beta

🧪 Tests (latest):

🧪 Tests (develop):

Description:

A Python interface for the HOLE suite tools to analyze an ion channel pore or transporter pathway as a function of time or arbitrary order parameters.

Installation instructions

The latest version of hole2-mdakit can be installed using the following:

mamba install hole2 -c conda-forge
pip install git+https://github.com/MDAnalysis/hole2-mdakit@main

The source code of hole2-mdakit can be installed using the following:

git clone https://github.com/MDAnalysis/hole2-mdakit.git
mamba install hole2 -c conda-forge
cd hole2-mdakit && pip install . && cd ..