Macs in Chemistry

Insanely Great Science


I see a new version of Avogadro has been released.
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.
  • Cross-platform molecular builder/editor.
  • Plugin architecture for developers, including rendering, interactive tools, commands, and Python scripts.
  • Built-in molecular mechanics (including MMFF94 and UFF).
  • Input generation for Gaussian and GAMESS-US, with more packages to come.
  • Support for crystallographic unit cells.
  • Visualization of isosurfaces and orbitals, including Gaussian cubes, OpenDX, and Gaussian fchk files.
  • Translations into French and German.
Avogadro is based on top of existing chemistry software, including Open Babel. In the future, it will offer strong scripting abilities to allow for automated demos, submission of calculations to local computational resources, and user-defined customization.
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