Testing

Tests can be run using the test running tool pytest:

git clone https://github.com/KULL-Centre/DEERpredict.git
cd DEERpredict
python -m pytest

The tests reproduce reference data for four protein systems:

  • HIV-1 Protease
  • T4 Lysozyme
  • Acyl-CoA-Binding Protein
  • A discoidal complex of Apolipoprotein A-I

Test systems can be further explored through the Jupyter Notebooks in the tests/data folder:

  • HIV-1PR/HIV-1PR.ipynb
  • nanodisc/nanodisc.ipynb
  • ACBP/ACBP.ipynb
  • article.ipynb