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IQmol

Free open-source molecular editor and visualization package

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IQmol provides an editor and visualization environment for molecular structures. It supports building and editing molecules, generating surfaces such as orbitals and electron densities, and creating animations of vibrational modes and reaction pathways. The program can read many common file formats, including formatted checkpoint files, allowing users to view results from a variety of quantum‑chemistry calculations.

The software is built with the Qt framework, which makes it runnable on macOS, Windows, and Linux. An integration with the Q‑Chem quantum chemistry package offers a workflow for setting up, executing, and analyzing Q‑Chem jobs directly from the interface, while still functioning independently with other data sources.

IQmol is distributed as free open‑source code, with the repository hosted on GitHub and documentation that includes an illustrated user guide and tutorial videos. The project is maintained in a stable release state and targets researchers and students who need a flexible tool for molecular modeling and visualization.

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