DOCK 3.8:How to install pydock3: Difference between revisions

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Installation instructions:
Installation instructions:


1. Email [[John Irwin]] or [[Ian Scott Knight]] asking for access to the ''pydock3'' [https://peps.python.org/pep-0427/ wheel binary].
1. Email [[John Irwin]] or [[Ian Scott Knight]] asking for access to the ''pydock3'' tarball.


2. Download the wheel binary.
2. Download the tarball.


3. Install ''pydock3'' to your Python:
3. Install ''pydock3'' to your Python:
   
   
  pip install <NAME_OF_WHEEL_FILE>.whl
  pip install <NAME_OF_TARBALL>.tar.gz


'''Note:''' requires Python>=3.8
'''Note:''' requires Python>=3.8

Revision as of 11:32, 3 September 2022

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 tarball.

2. Download the tarball.

3. Install pydock3 to your Python: 

pip install <NAME_OF_TARBALL>.tar.gz

Note: requires Python>=3.8

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