DOCK 3.8:How to install pydock3

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Revision as of 07:31, 2 September 2022 by Ianscottknight (talk | contribs)
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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