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Avogadro

Avogadro

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.

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.

 Avogadro 1.1.1

Price
Free to download

Size
10.2MB
License

GNU GPL v2

Developer
Shahzad Ali, Ross Braithwaite, James Bunt, Donald Ephraim Curtis, Geoffrey Hutchison, Marcus D. Hanwell, Benoit Jacob, Carsten Niehaus 

Website
avogadro.openmolecules.net

System Requirements
Qt 4.3.x or later
OpenBabel 2.2b5 or later
Eigen 1.0.x or later

Support:
Wiki, Tutorials, Mailing Lists, SourceForge Project Page

Selected Reviews:
MacResearch

Features include:

  • Supports multi-threaded rendering and computation
  • "Auto-optimize" tool which allows you to continue to build and modify, during molecular mechanics optimization
  • 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
  • Open Babel import of files
  • Plugin architecture for developers, including rendering, interactive tools, commands, and Python scripts
  • Interfaces to many common computational packages
  • Embedded Python interpreter
  • Well defined public API, library and Python bindings for development
  • Translations into French, German, Italian, Russian, Spanish, Chinese and others

Return to Scientific Home Page | Return to Chemistry Home Page

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Last Updated Saturday, May 23 2015 @ 12:47 PM EDT


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