Avogadro

Owned by Former user (Deleted)
Last updated: Aug 17, 2020

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 the button to launch Avogadro

 Avogadro on Open OnDemand