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.
Key Features
- 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.
Website: github.com/openchemistry/avogadrolibs
Support:
Developer: Shahzad Ali, Ross Braithwaite, James Bunt, Donald Ephraim Curtis, Geoffrey Hutchison, Marcus D. Hanwell, Benoit Jacob, Carsten Niehaus
License: GNU GPL v2
Avogadro is written in Python and C++. Learn Python with our recommended free books and free tutorials. Learn C++ with our recommended free books and free tutorials.
Related Software
| Chemistry: Molecular Editors and Visualisation | |
|---|---|
| PyMOL | Molecular graphics system for visualizing structures and producing images |
| Avogadro | Advanced molecular editor and visualization application |
| Gabedit | Graphical interface for computational chemistry packages and modelling |
| Jmol | 3D molecular viewer for chemicals, crystals, materials and biomolecules |
| Patinae | Programmable molecular visualization toolkit with desktop and Python support |
| Coot | Interactive macromolecular model building, refinement and validation toolkit |
| IQmol3 | Molecular builder and visualization package for computational chemistry |
Read our verdict in the software roundup.
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