Macs in Chemistry

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Jupyter Notebook for docking either locally or using Colab

 

Here are two variations of a Jupyter Notebook to help with docking experiments. The first version runs locally and requires the user to install RDKit, OpenBabel, SMINA and py3Dmol, the second version can be run using Google CoLab and thus all you require is a web browser.

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Full details and download are here.

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