Avogadro - advanced molecule editor






Avogadro

https://en.wikipedia.org/wiki/Avogadro_(software)
http://sourceforge.net/projects/avogadro
http://avogadro.cc/



Size: 16.8 MB
Date Made: February 29, 2008; 9 years ago
Date updated: Avogadro 2 1.90.0 / December 2, 2016
Available in     7 languages


Written in C++ (Qt)
Operating system Linux, macOS, Unix, Windows
Platform IA-32, x86-64



Interactions, Manual, samples: https://avogadro.cc/docs/building-materials/molecule-surface-interactions/

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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.[3][4][5][6] It is extensible via a plugin architecture.[7]

Contents

Features

Space-filling model of Loratadine created using Avogadro.

See also

References




  • "Avogadro 1.2 Released". June 15, 2016. Retrieved May 16, 2017.

  • Hanwell, Marcus D. (December 2, 2016). "Avogadro 1.90.0 Released". Retrieved May 16, 2017.

  • 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. PMC 3542060 Freely accessible. PMID 22889332. doi:10.1186/1758-2946-4-17.

  • 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. PMID 21469689. doi:10.1021/jp107498h.

  • 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. PMID 21526776. doi:10.1021/ja201801t.

  • Open Babel documentation Author: Geoffrey R Hutchison; Noel M O'Boyle; Blue Obelisk (organization)


    1. Avogadro website

    External links

     --------------

    Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture.


    • Cross-Platform: Molecular builder/editor for Windows, Linux, and Mac OS X.
    • Free, Open Source: Easy to install and all source code and documentation is available to modify or extend.
    • International: Translations into Chinese, French, German, Italian, Russian, Spanish, and others, with more languages to come.
    • Intuitive: Built to work easily for students and advanced researchers both.
    • Fast: Supports multi-threaded rendering and computation.
    • Extensible: Plugin architecture for developers, including rendering, interactive tools, commands, and Python scripts.
    • Flexible: Features include Open Babel import of chemical files, input generation for multiple computational chemistry packages, crystallography, and biomolecules.
    • How to cite Avogadro: The Avogadro Paper
    •  
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    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 1.1.1
    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:
    Wiki, Tutorials, Mailing Lists, SourceForge Project Page
    Selected Reviews:
    MacResearch
    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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    Download:
    https://sourceforge.net/projects/avogadro/files/latest/download
    https://sourceforge.net/settings/mirror_choices?projectname=avogadro&filename=avogadro/1.2.0/avogadro-1.2.0.tar.gz

    https://sourceforge.net/projects/avogadro/



     Installing:








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