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Python scripting

Our pip installation of Python binding for vina requires an older version of python, 3.9. While this is not fixed, we can downgrade python, and re-install meeko, scrubber, and ringtail.

micromamba install python=3.9
pip install vina
pip install meeko==0.6.0a3
pip install ringtail
cd scrubber
pip install .

Then run the example script:

cp tutorials/imatinib/step-6/dock-from-python.py .
python dock-from-python.py

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