Abstract

Avogadro offers a semantic chemical builder and platform for visualization and analysis. For users, it offers an easy-to-use builder, integrated support for downloading from common databases such as PubChem and the Protein Data Bank, extracting chemical data from a wide variety of formats, including computational chemistry output, and native, semantic support for the CML file format. For developers, it can be easily extended via a powerful plugin mechanism to support new features in organic chemistry, inorganic complexes, drug design, materials, biomolecules, and simulations. Avogadro is freely available under an open-source license from http://avogadro.openmolecules.net.

Keywords

Computer scienceVisualizationPython (programming language)Plug-inAvogadro constantUploadGraphical user interfaceMolecular graphicsPubChemComputational scienceProgramming languageComputer graphicsWorld Wide WebComputer graphics (images)ChemistryData miningPhysics

Affiliated Institutions

Related Publications

Publication Info

Year
2012
Type
article
Volume
4
Issue
1
Pages
17-17
Citations
9582
Access
Closed

External Links

View on DOI.org

Social Impact

Altmetric
PlumX Metrics

Social media, news, blog, policy document mentions

Citation Metrics

9582
OpenAlex

Cite This

Marcus D. Hanwell, Donald Curtis, David Lonie et al. (2012). Avogadro: an advanced semantic chemical editor, visualization, and analysis platform. Journal of Cheminformatics , 4 (1) , 17-17. https://doi.org/10.1186/1758-2946-4-17

Identifiers

DOI
10.1186/1758-2946-4-17