DOCK 3.8:How to install pydock3

From DISI
Revision as of 12:19, 3 September 2022 by Ianscottknight (talk | contribs)
Jump to navigation Jump to search

pydock3 is a Python package wrapping the DOCK Fortran program that provides tools to help standardize and automate the computational methods employed in molecular docking.

Installation instructions:

1. Email John Irwin or Ian Scott Knight asking for access to the "pydock3" wheel binary.

2. Download the wheel binary.

3. Install "pydock3" to your Python:

pip install <NAME_OF_WHEEL_FILE>.whl


Note: requires Python>=3.8