modelarchive-py 1.0.0

modelarchive - Functionality around ModelArchive.org & ModelCIF.

modelarchive - The ModelArchive Python package

https://modelarchive.org/

modelarchive collects all Python functionality developed for ModelArchive in a single package - essentially the “Everything ModelArchive” toolkit.

Yes, the name is a bit long, but ma alone felt too short ;) You can conveniently import it as:

import modelarchive as ma

The package is organised into submodules covering different areas of functionality. Currently available:

• modelcif: help with editing ModelCIF files, translating from legacy PDB format and extending existing ModelCIf-formatted files

Installation

From PyPI:

pip install modelarchive-py

From source:

git clone https://git.scicore.unibas.ch/schwede/python-modelarchive
cd python-modelarchive
pip install .

For development:

• to see code changes immediately effective in your environment:

pip install -e .

Versioning/ requirements.txt

modelarchive follows Semantic Versioning, so you can safely depend on modelarchive-py>=<MAJOR VERSION>.0.0 to get updates without breaking changes.

Developing ModelArchive

• best install the package to get all requirements resolved
• run pytest as python -m pytest [-s]
• in the doc/ subdirectory, run make html to create the documentation
• in the doc/ subdirectory run make doctest to run Doctests