I must say that, in my opinion, this release is premature. I appreciate the comment ' lacks features present in Avogadro 1', but the new version appears to be incapable of rendering benzene as a planar molecule at this point. Although the optimized geometry of cyclohexane approximates the less stable boat conformer, the 1.0 version will generate the more stable chair conformer on optimization.
Is it possible that I am missing something in the new, more convoluted directory and subdirectory structure of the gui? Stephen P. Molnar, Ph.D. Life is a fuzzy set Foundation for Chemistry Stochastic and multivariate www.FoundationForChemistry.com (614)312-7528 (c) Skype: smolnar1 -----Original Message----- From: Marcus D. Hanwell [mailto:marcus.hanw...@kitware.com] Sent: Monday, December 02, 2013 2:14 PM To: Avogadro-devel Devel; avogadro-discuss@lists.sourceforge.net Subject: [Avogadro-Discuss] Avogadro 2 0.7.0 Released We are very proud to announce the availability of Avogadro 2 0.7.0. Avogadro 2 is a free, open source, cross-platform molecular editor designed for flexible use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. Packages are available for Windows, Linux and Mac OS X. The source code source is available under the 3-clause BSD license. Avogadro 2 is a rewrite of Avogadro, and still lacks features present in Avogadro 1. Both packages can be installed on the same system, and so it is possible to try the latest without losing access to the previous version. We will be making occasional releases of Avogadro 1.x too, along with migrating functionality to Avogadro 2. We value your feedback, and hope that you will find the improvements made in version 2 useful. What does Avogadro 2 do? * We've tried to make the best, most intuitive "builder" * Interfaces to many common computational packages * Designed to help both educational users and advanced research * Plugins that allow it to be extended and customized * Can be extended with simple Python scripts for file IO and input generation * Well defined public API, libraries and modular design Download: https://sourceforge.net/projects/avogadro/files/avogadro2/0.7.0/ What's new? See the Release Notes: http://wiki.openchemistry.org/Avogadro2_0.7.0 For more information: http://wiki.openchemistry.org/Avogadro If you use Avogadro or Avogadro 2, please check out the recently published Avogadro paper, and consider citing it: http://www.jcheminf.com/content/4/1/17 This is a community project and we couldn't have made this release without you. Many thanks to all the contributors to Avogadro including those of you who submitted feedback, bug reports, and code. 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. ---------------------------------------------------------------------------- -- Rapidly troubleshoot problems before they affect your business. Most IT organizations don't have a clear picture of how application performance affects their revenue. With AppDynamics, you get 100% visibility into your Java,.NET, & PHP application. Start your 15-day FREE TRIAL of AppDynamics Pro! http://pubads.g.doubleclick.net/gampad/clk?id=84349351&iu=/4140/ostg.clktrk _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss ------------------------------------------------------------------------------ Rapidly troubleshoot problems before they affect your business. Most IT organizations don't have a clear picture of how application performance affects their revenue. With AppDynamics, you get 100% visibility into your Java,.NET, & PHP application. Start your 15-day FREE TRIAL of AppDynamics Pro! http://pubads.g.doubleclick.net/gampad/clk?id=84349351&iu=/4140/ostg.clktrk _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
