Avogadro

Avogadro is a molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. Avogadro is only available via the Open OnDemand HPC Portal. 

Features

• Molecular builder-editor for Windows, Linux, and OS X.

• All source code is licensed under the GNU GPL.

• Translations into Chinese, French, German, Italian, Russian, and Spanish.

• Supports multi-threaded rendering and computation.

• Plugin architecture for developers, including rendering, interactive tools, commands, and Python scripts.

• OpenBabel import of files, input generation for multiple computational chemistry packages, crystallography, and biomolecules.

Using Avogadro on Open OnDemand

Select Visualization from the Interactive Apps dropdown

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Select Avogadro from the dropdown list and choose the resources you want to use. Click "Launch" to submit your request to the SLURM scheduler

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When resources are available, a blue "Launch Visualization" button will appear. Click the button to launch Avogadro

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Avogadro on Open OnDemand

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Useful Links

• Manual