Changelog

All notable changes to this project will be documented in this file.

The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.

[0.3.0]

Added

• Reading input directly from RDKit Mol as well as MDAnalysis AtomGroup objects

• Proper documentation and tests

• CI through GitHub Actions

• Publishing to PyPI triggered by GitHub releases

Changed

• All the API and the underlying code have been modified

• Repository has been moved from GitHub user @cbouy to organisation @chemosim-lab

Deprecated

Removed

• Custom MOL2 file reader

• Command-line interface

Fixed

• Interactions not detected properly

[0.2.1] - 2019-10-02

Base version for this changelog