Software
Installing Raccoon2 plugin on Windows.
We have previously provided an article on the installation of the Raccoon2 plugin on Ubuntu. In this article, we are going to install Raccoon2 [1] on Windows.
Downloading Raccoon2
Download the Raccoon2 plugin from here. You can either download the zip file or the executable setup file. We are downloading the zip file.
Installing Raccoon2
After downloading finishes, extract the zip file. It will create a folder namely, ‘mgltools_win32_1.5.7rc1′.
Executing Raccoon2
Inside the new folder (mgltools_win32_1.5.7rc1), you will find several sub-folders. One of them is ‘CADD’. Move inside CADD –> Raccoon2 –> gui.
Inside the gui folder, you will find a script namely, ‘Raccoon2gui.py‘. Run this script in command prompt, it will open GUI of Raccoon2 where you can easily perform virtual screening using Autodock Vina. You may encounter some errors while running this script due to the Python version difference. You can update this script to the latest version of Python. Later, it should run fine.
References
- Forli, S., Huey, R., Pique, M. E., Sanner, M. F., Goodsell, D. S., & Olson, A. J. (2016). Computational protein-ligand docking and virtual drug screening with the AutoDock suite. Nature Protocols, 11(5), 905-919.
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Electron density maps are available for most of the protein structures in PDB. Therefore, in this article, we are using PDB to generate electron density maps in Pymol.
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