Avogadro (software)
 | |
| Stable release | 1.0.3 / April 25, 2011[1] |
|---|---|
| Preview release | 1.1.1 / December 11, 2013[2] |
| Written in | C++ (Qt) |
| Operating system | Linux, OS X, Windows |
| License | GNU General Public License |
| Website |
avogadro |
Avogadro is a molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.[3][4][5][6] It is extensible via a plugin architecture.[7]
Features
Space-filling model of Loratadine created using Avogadro.
- 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.
See also
References
- ↑ "Avogadro 1.0.3". April 24, 2011. Retrieved February 9, 2014.
- ↑ "Avogadro 1.1.1". December 11, 2013. Retrieved February 9, 2014.
- ↑ Hanwell, Marcus D; Curtis, Donald E; Lonie, David C; Vandermeersch, Tim; Zurek, Eva; Hutchison, Geoffrey R (2012). "Avogadro: An advanced semantic chemical editor, visualization, and analysis platform". J. Cheminform. 4 (1): 17. doi:10.1186/1758-2946-4-17. PMC 3542060. PMID 22889332.
- ↑ Ral Mera-Adasme; Fernando Mendizbal; Claudio Olea-Azar; Sebastin Miranda-Rojas; Patricio Fuentealba (2011). "A Computationally Efficient and Reliable Bond Order Measure". J. Phys. Chem. A 115 (17): 4397–4405. doi:10.1021/jp107498h. PMID 21469689.
- ↑ Michael Salciccioli; Weiting Yu; Mark A. Barteau; Jingguang G. Chen; Dionisios G. Vlachos (2011). "Differentiation of O–H and C–H Bond Scission Mechanisms of Ethylene Glycol on Pt and Ni/Pt Using Theory and Isotopic Labeling Experiments". J. Am. Chem. Soc. 133 (20): 7996–8004. doi:10.1021/ja201801t. PMID 21526776.
- ↑ Open Babel documentation Author: Geoffrey R Hutchison; Noel M O'Boyle; Blue Obelisk (organization)
- ↑ Avogadro website
External links
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