continuous-symmetry-measure / pdb_prep Goto Github PK

View Code? Open in Web Editor NEW

4.0 3.0 3.0 4.48 MB

PDB file parser and prepare tools.

License: BSD 2-Clause "Simplified" License

Python 100.00%

pdb-files chemistry python3 proteins rscb

pdb_prep's People

Contributors

Stargazers

Watchers

Forkers

jcheminform ituvi rnaimehaom

pdb_prep's Issues

Make tests more easily runnable

Tests should be runnable with a single command (often python setup.py test or at least python -m unittest discover).

Properly include 'click' dependency

The click module is currently listed in setup.py under 'packages'. It should be under 'install_requires' instead, since it should be installed from pypi.

Please update your .gitignore

Add pdb_prep.egg-info/ and dist/ to .gitignore. Remove all of pdb_prep.egg-info from the repository.

Follow python packaging conventions

This tool fails to follow standard packaging conventions, which makes it hard to install. See https://packaging.python.org/ for info.

Source code should be within a top-level pdb_prep directory
All source directories should have __init__.py files so that python recognizes them as modules
The software should be installable with python setup.py install
There should be a __main__.py that runs the main entry point (pdb_prep.py). This allows the tool to be run as python -m pdb_prep. You might also want to install an entry point script.
requirements (e.g. click) should be listed in setup.py and/or requires.txt