The "start here" repository for the Fragalysis Stack application. This repository (which is currently UNDER CONSTRUCTION) will be used as a 'base' for all documentation relating to the application.
This replaces the original fragalysis repository, which was responsible for the RDKit-based Python tools for analysis of protein-ligand interactions. The original repository has been renamed and can now be found in the fragalysis-package repository.
The repository is compatible with ReadTheDocs and you can find the latest documentation
(built from the most recent changes on this repository's main branch) on ReadTheDocs at
https://fragalysis.readthedocs.io/en/latest/.
Stable documentation (built from the most recent tag in this repository) can be found at https://fragalysis.readthedocs.io/en/stable/.
To compile the documentation, which is based on Sphinx, start with a Python environment (ideally Python 3.12, as that's the version used by ReadTheDocs and the GitHub CI workflow) and install the dependencies: -
python -m venv venv
source venv/bin/activate
pip install --upgrade pip
pip install -r requirements.txt
Then, to build the HTML documentation, run the following command: -
sphinx-build docs/source/ docs/build/
The resulting index.html will be in the docs/build/ directory.