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 1.1.0
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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
Sites:
Wiki,
Tutorials,
Mailing
Lists, SourceForge
Project Page
Selected
Reviews:
MacResearch
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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
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Last Updated Saturday, April 13 2013 @ 03:53 PM EDT
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