PiViewer: an open-source tool for automated detection and display of pi-pi interactions.
The aromatic ring perception and the pi-pi interaction identification is implemented by using Python, NumPy, and the Python wrapper library of OpenBabel. PyMOL is selected as the main GUI for the 3D display of protein/ligand molecular structures and the pi-pi interactions as it is a popular open-source molecular visualization system and supports python for module/plugin development. The entire function can be installed as a PyMOL plugin.
- Python 2.x/3.x
- NumPy
- Openbabel and Pybel (Python wrapper)
- PyMOL (optional if GUI needed)
To install this tool, firstly install all of its dependencies (Python 2.x/3.x, Numpy, Pybel, and PyMOL). Then, open PyMOL->Plugin and install the plugin file. After installation, restart PyMOL and run PiViewer from the "Plugin" menu.
Liu Y, Ao X, Wang Q, Wang J, Ge H. PiViewer: An open-source tool for automated detection and display of π–π interactions. Chem Biol Drug Des. 2018;00:1–6. https://doi.org/10.1111/cbdd.13340
- Please cite the paper if you find the tool useful.
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