Avogadro (software)
{{Short description|Molecular builder/editor software}}
{{Infobox software
| name = Avogadro
| logo = Avogadro.png
| logo alt = A black sans-serif capital letter A being orbited by two orange stylized electrons with orange trails.
| logo caption = Avogadro logo
| screenshot =
| caption =
| collapsible =
| author =
| developer =
| released = {{Start date and age|2008|02|29}}
| latest release version = {{wikidata|property|preferred|P348|P548=Q2804309|P348}}
| latest release date = {{wikidata|qualifier|preferred|P348|P548=Q2804309|P577}}
| latest preview version = Avogadro 2 1.95.1
| latest preview date = {{Start date and age|2021|08|26}}{{cite web |url= https://github.com/OpenChemistry/avogadrolibs/releases/tag/1.95.1/ |title= Avogadro 1.95.1 Released |website= GitHub |date= August 26, 2021 |access-date= September 24, 2021}}
| programming language = C++ (Qt)
| operating system = Linux, macOS, Unix, Windows
| size = 11.3 MB
| language = Chinese, English, French, German, Italian, Russian, Spanish, Polish
| language count = 8
| genre = Molecule editor
| license = GPL v2
| website = {{URL|avogadro.cc}} {{URL|two.avogadro.cc}}
| repo = {{URL|sourceforge.net/projects/avogadro}}
| standard =
| AsOf =
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Avogadro is a molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.{{cite journal |journal= J. Cheminform. |doi= 10.1186/1758-2946-4-17 |title= Avogadro: An advanced semantic chemical editor, visualization, and analysis platform |year= 2012 |last1= Hanwell |first1= Marcus D |last2= Curtis |first2= Donald E |last3= Lonie |first3= David C |last4= Vandermeersch |first4= Tim |last5= Zurek |first5= Eva |last6= Hutchison |first6= Geoffrey R |volume= 4 |pages= 17 |pmid= 22889332 |issue= 1 |pmc=3542060 |doi-access= free }}{{cite journal |title= A Computationally Efficient and Reliable Bond Order Measure |author1= Ral Mera-Adasme |author2= Fernando Mendizbal |author3= Claudio Olea-Azar |author4= Sebastin Miranda-Rojas |author5= Patricio Fuentealba |journal= J. Phys. Chem. A |year= 2011 |volume= 115 |issue= 17 |pages= 4397–4405 |doi= 10.1021/jp107498h |pmid= 21469689|bibcode= 2011JPCA..115.4397M |hdl= 10533/131936 |hdl-access= free }}{{cite journal |title= Differentiation of O–H and C–H Bond Scission Mechanisms of Ethylene Glycol on Pt and Ni/Pt Using Theory and Isotopic Labeling Experiments |author1= Michael Salciccioli |author2= Weiting Yu |author3= Mark A. Barteau |author4= Jingguang G. Chen |author5= Dionisios G. Vlachos |journal= J. Am. Chem. Soc. |year= 2011 |volume= 133 |issue= 20 |pages= 7996–8004 |doi= 10.1021/ja201801t |pmid= 21526776}}Open Babel documentation Author: Geoffrey R Hutchison; Noel M O'Boyle; Blue Obelisk (organization) It is extensible via a plugin architecture.[http://avogadro.openmolecules.net/ Avogadro website]
Features
File:Loratadine-3d-vdW.png of loratadine created using Avogadro.]]
- 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
{{Portal|Free and open-source software}}
{{columns-list|colwidth=30em|
- 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
{{Reflist}}
External links
- {{Official website|avogadro.cc}}
{{Chemistry software}}
{{DEFAULTSORT:Avogadro (Software)}}
Category:Free chemistry software
Category:Free software programmed in C++
Category:Molecular modelling software
Category:Computational chemistry software
Category:Science software that uses Qt
Category:Chemistry software for Linux
Category:Software using the GNU General Public License
Category:Free bioinformatics software
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