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Avogadro 2 0.7.0 Release

December 2, 2013

We are pleased to announce the release of version 0.7.0 of the Avogadro 2 application and libraries. The new version’s source and binaries are available on our website or on SourceForge. The release features a number of enhancements to the application and libraries including support for text rendering, a measurement tool, bond-centric manipulation of the structure, Python scriptable file plugins, basic support for crystal/periodic structures, SDF support, initial support for the GROMACS file format, and porting of the Quantum Theory of Atoms in Molecules (QTAIM) plugin from Avogadro 1.

Avogadro 2 The Open Chemistry project
The release addresses several bugs and provides rendering enhancements, as well as improved integration, with MoleQueue and MongoChem using local socket communication. Over the coming weeks, we will begin merging several larger features including updates to the API, undo/redo support, support for multiple molecules, VTK visualization widgets, and improved assistance for client-server support. We will also review the application and make usability improvements.

The view above shows a QTAIM visualization, and below shows the bond-centric manipulation in action. If there are features you miss from Avogadro 1, or have any specific feedback, please get in touch and let us know! If you are interested in using Avogadro 2 in your own work, or contributing extensions, we would love to hear from you too. Please see the release notes for further details.

We acknowledge that the development of Avogadro 2 has been funded by a US Army SBIR with the Engineering Research Development Center under contract (W912HZ-12-C-0005) at Kitware, Inc., along with contributions from the community.

Tags:
Open ChemistryScientific Computing

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