Docking Python

Docking_py is a python library allowing a simplified use of the Smina, vina, qvina2 and qvinaw docking software. Docking_py can be easily automatize and scripted.

• Free software: GNU General Public License v2 (GPLv2)
• Documentation: https://docking-py.readthedocs.io.

Features

• Prepare receptors and ligands.

• Launch docking using:

  • Autodock with or without GPU acceleration
  • Vina
  • Smina
  • Qvina2
  • Qvinaw

Citing this work

If you use the code or data in this package, please cite:

Credits

This package was created with Cookiecutter and the audreyr/cookiecutter-pypackage project template.