DOCK 3.8:How to install pydock3: Difference between revisions
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[[pydock3]] is a Python package wrapping the [[DOCK|DOCK Fortran program]] that provides tools to help standardize and automate the computational methods employed in molecular docking. | [[pydock3]] is a Python package wrapping the [[DOCK|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'' [https://peps.python.org/pep-0427/ 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 | |||
Revision as of 07:31, 2 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 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