Avogadro is a user-friendly molecule builder and editor. It offers flexible rendering and a powerful plugin architecture for developers. The program supports interactive building of molecules with integrated molecular mechanics and a fragment database. Input generation for GAMESS, MOPAC, or Gaussian calculations is provided. For visualization, the program supports crystallographic unit cells, isosurfaces and orbitals from Gaussian cubes and OpenDX.
What's New
Version 1.0.3:
This version marks a stable bug-fix release, recommended for all users. It includes updated language translations, fixes for the GAMESS, NWChem, and MOPAC input builders, improvements to the drawing tool, alignment of surfaces, and fixes for several crashes and small memory leaks.
I remember using ChemDraw and the 3-D version almost 10 years ago to model nanotubes and nanopeapods (right after peapods were discovered, in fact). This free program does what they did and much more. It's a lot of fun to build little molecules and see how they form, especially when you turn on the auto-optimization that calculates how the molecule would actually position the component atoms.
It really does let anyone play around with building and interacting with molecular structures.
There are some weird interface issues. First, the keyboard commands to switch between tools are function keys, and don't seem to work on Macs, even if you toggle the function-key setting in System Prefs. Second, closing the last window quits the program. The fragment library doesn't appear to work right now, so it isn't possible to import the sample molecules that come with avogadro.
Nevertheless, if you're interested in molecular engineering, nanotech, or anything in that category, this is a free way to have access to a tool that lets you play around. It looks like it has much more advanced features as well, but I can't speak on those with any authority.
The fragment library DOES work, despite my earlier comment. It is just a bit confusing. The way it works is that you pick an item in the dialog, which then acts like a palette. Once you pick an item, keep the dialog open, but double-click in the main window where you want to insert the chosen molecule. Strange, but it does work.
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Avogadro is a user-friendly molecule builder and editor. It offers flexible rendering and a powerful plugin architecture for developers. The program supports interactive building of molecules with integrated molecular mechanics and a fragment database. Input generation for GAMESS, MOPAC, or Gaussian calculations is provided. For visualization, the program supports crystallographic unit cells, isosurfaces and orbitals from Gaussian cubes and OpenDX.
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Krioni reviewed on 25 May 2008
It really does let anyone play around with building and interacting with molecular structures.
There are some weird interface issues. First, the keyboard commands to switch between tools are function keys, and don't seem to work on Macs, even if you toggle the function-key setting in System Prefs. Second, closing the last window quits the program. The fragment library doesn't appear to work right now, so it isn't possible to import the sample molecules that come with avogadro.
Nevertheless, if you're interested in molecular engineering, nanotech, or anything in that category, this is a free way to have access to a tool that lets you play around. It looks like it has much more advanced features as well, but I can't speak on those with any authority.
+1
+61