AutoDock Vina
AutoDock Vina is an open-source program for doing molecular docking.[1]
Installed Versions
AutoDock Vina 1.2.3 is installed on Picotte. Use the modulefile:
vina/intel/2020/1.2.3
N.B. this is distinct from VinaLC
Documentation
Please consult the official documentation.[2]
Python bindings
The official documentation shows how to use Anaconda[3] to have Python bindings.
Generally, Anaconda (or Mini Conda) is not well-suited for multi-user systems like Picotte. We recommend, instead, using Python virtual environments (venv) which provide similar capabilities to Conda environments. For an example, see the article Installing TensorFlow 2.11.0 using pip and venv.
See Also
References
[2] AutoDock Vina Documentation
[3] AutoDock Vina Documentation - Installation - Python bindings