py.Aroma | Zhe Wang

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py.Aroma 4 is a free, open-source program kit for analyses of aromaticity. It supports BLA, HOMA, HOMER, POAV and NICS (ICSS), and also combined the basic function of py.NMR and CSIgen. py.Aroma 4 is built with Python 3.11, and the GUI is powered by PyQt6. Third-party libraries Matplotlib, Numpy, OpenPyxl and NetworkX were applied.

To download py.Aroma 4, please visit the download page. For program user manual, please check manual. Known issues in latest version were summarized in issues page, if you found some problems please refer to it or contact me.

I am very happy to accept request for new functions, and add them to new version of py.Aroma. Feel free to contact me via E-mail, or use Contact Developer button in the start-up window of py.Aroma 4. I am also glad to accept questions and bug solution.

中国用户可参考发布在计算化学公社的介绍贴：🔗。

Statements

As a researcher, I found it is important to make some contribution. py.Aroma 4 is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.

If py.Aroma 4 is utilized in your work, or the code is implied in your own code, please consider citing following contents:

Zhe Wang, py.Aroma: An Intuitive Graphical User Interface for Diverse Aromaticity Analyses, ChemRxiv, 2024, DOI: 10.26434/chemrxiv-2024-mjmj8.