A molecular editor and visualization package that is available for free and is open source. This software provides various functionalities such as a molecular editor, surface generation for orbitals and densities, and animations for vibrational modes and reaction pathways. It has seamless integration with the Q-Chem quantum chemistry package, offering an intuitive platform to configure, execute, and analyze Q-Chem calculations.
IQmol is a free open-source molecular editor and visualization package. It offers a range of features including a molecular editor, surface generation (orbitals and densities) and animations (vibrational modes and reaction pathways).
It has been integrated with the Q-Chem quantum chemistry package and offers an intuitive environment to set up, run, and analyze Q-Chem calculations. However, it can also read and display a variety of file formats, including the widely available formatted checkpoint file.
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