The PTools library

A fully pythonic library for building and analysing macromolecular assemblies.

• Free software: MIT license

We strongly recommend to install the package using uv. This will ensure that all dependencies are correctly installed.

To install uv, run the following command:

curl -LsSf https://astral.sh/uv/install.sh | sh

More details available at uv.

To install PTools, run the following command:

uv venv ptools  # setup a virtual environment named 'ptools'
source ptools/.venv/bin/activate  # activate the virtual environment
uv pip install git+https://github.com/ptools/ptools.git  # install PTools

If you want to contribute to PTools, you can setup a development environment using the following command:

git clone https://github.com/ptools/ptools.git
cd ptools
uv sync

PTools is ready to use!

uv run ptools --help

If you're using the library, you can run your script using the following command:

uv run my_script.py

To work outside of PTools source directory, you need to activate the virtual environment:

source /path/to/ptools/.venv/bin/activate

• Benoist LAURENT
• Chantal PREVOST
• Hubert SANTUZ
• Charles ROBERT

Past contributors:

• Adrien SALADIN
• Benjamin BOYER
• Pierre POULAIN