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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

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

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

  •  Avogadro on Open OnDemand

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