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.
Project description
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
Credits
This package was created with Cookiecutter and the audreyr/cookiecutter-pypackage project template.
History
0.1.0 (2020-04-15)
First release on PyPI.
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