From owner-chemistry -8 at 8- ccl.net Fri Sep 14 16:06:00 2012 From: "Geoffrey Hutchison geoffh+*+pitt.edu" To: CCL Subject: CCL: Avogadro 1.1.0 Released Message-Id: <-47603-120914140015-21895-vubtWp1KYZ30HoLa17L1tw/./server.ccl.net> X-Original-From: Geoffrey Hutchison Content-Transfer-Encoding: 8bit Content-type: text/plain; charset=us-ascii Date: Fri, 14 Sep 2012 14:00:09 -0400 MIME-version: 1.0 (Apple Message framework v1278) Sent to CCL by: Geoffrey Hutchison [geoffh**pitt.edu] We are very proud to announce the availability of Avogadro 1.1.0. https://sourceforge.net/projects/avogadro/files/avogadro/1.1.0 Avogadro 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 GNU GPLv2. What's new? This release highlights a great deal of new features, including a built-in crystal library, crystallographic editing, building slabs / surfaces with arbitrary Miller planes, support for Abinit (and soon Quantum Espresso), searching for IUPAC names in PubChem, custom atomic colors and radii, and much more. See the Release Notes: http://avogadro.openmolecules.net/wiki/Avogadro_1.1.0 If you use Avogadro please check out the recently published Avogadro paper, and consider citing it: http://www.jcheminf.com/content/4/1/17 What does Avogadro do? * We've tried to make the best, most intuitive "builder," including common fragments, downloading directly from PDB or PubChem, and peptide sequences * Innovative "auto-optimize" tool which allows you to continue to build and modify, during molecular mechanics optimization * Interfaces to many common computational packages * Designed to help both educational users and advanced research * Plugins that allow Avogadro to be extended and customized * Well defined public API, library and Python bindings for development * Embedded Python interpreter * Translations available in 19+ languages For more information: http://avogadro.openmolecules.net/wiki/ 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. Particular thanks go to all the translators. -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: geoffh**pitt.edu web: http://hutchison.chem.pitt.edu/