Avogadro (software)
 Avogadro logo | |
| Initial release | February 29, 2008 |
|---|---|
| Stable release | Avogadro 1.2
/ June 15, 2016[1] |
| Preview release | Avogadro 2 1.95.1
/ August 26, 2021[2] |
| Repository | sourceforge |
| Written in | C++ (Qt) |
| Operating system | Linux, macOS, Unix, Windows |
| Platform | IA-32, x86-64 |
| Size | 11.3 MB |
| Available in | 8 languages |
List of languages Chinese, English, French, German, Italian, Russian, Spanish, Polish | |
| Type | Molecule editor |
| License | GPL v2 |
| Website | avogadro |
Avogadro is a molecule editor and visualizer 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
[edit]
- Molecule builder-editor for Windows, Linux, Unix, and macOS.
- All source code is licensed under the GNU General Public License (GPL) version 2.
- Supported languages include: Chinese, English, French, German, Italian, Russian, Spanish, and Polish.
- 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, X-ray crystallography, and biomolecules.
See also
[edit]
- Molden
- Gabedit
- Molekel
- PyMol
- Jmol
- RasMol
- SAMSON
- UCSF Chimera
- Molecular design software
- List of quantum chemistry and solid state physics software
- List of molecular graphics systems
- Comparison of software for molecular mechanics modeling
- Extensible Computational Chemistry Environment (ECCE)
- Visual Molecular Dynamics (VMD)
- Ghemical
References
[edit]- ^ "Avogadro 1.2 Released". June 15, 2016. Retrieved May 16, 2017.
- ^ "Avogadro 1.95.1 Released". GitHub. August 26, 2021. Retrieved September 24, 2021.
- ^ 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. Bibcode:2011JPCA..115.4397M. doi:10.1021/jp107498h. hdl:10533/131936. 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
[edit]Computational chemistry software | |||||
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| Cheminformatics |
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| Chemical kinetics |
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| Molecular modelling and visualization |
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| Molecular docking |
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| Molecular dynamics |
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| Quantum chemistry |
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| Skeletal structure drawing |
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| Others |
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Credit:
(see original file).
