Style Guide

General rules for code development on PROPKA 3.

Documentation

Follow Napoleon - Marching toward legible docstrings guidelines.

To build the docs locally

python setup.py build_sphinx

and open build/sphinx/index.hml in your web browser.

Imports

Runtime

PROPKA 3 does not require any packages outside the standard library.

If any external packages are needed, discuss in a PR first.

Tests

Tests require

• pytest
• numpy

Documentation

To build the docs, packages

• sphinx
• sphinx_rtd_theme

are needed.