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Avogadro2 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 0.7.2:

Interface

  • Fixed a bug in setting/retrieving user specified path to the Python interpreter
Commands/Extensions
  • Fixed bugs related to adding/removing programs in the MoleQueue submission dialog
  • Prevent jobs from being submitted without programs in the selected MoleQueue queue

Requirements

  • OS X 10.6 or later

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Avogadro2 User Discussion

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Geoff Hutchison (Developer) Member IconDev+0
Geoff Hutchison (Developer)
+0

This is a public beta of Avogadro v2. At the moment, there is not the usual level of interface polish, (particularly on the Mac) and many features are lacking compared to Avogadro v1.1.x.

On the other hand, rendering performance on large molecules is vastly improved with optimized OpenGL code. This will be the future of Avogadro.

Reply0 replies
Version 0.7.0
Ratti Member IconComment+23
Ratti
+0

Version 1.1 is available

Reply1 reply
Version 1.0.3
Regular-Warren
+0

Posted! Thanks.

Negritude Member IconComment+1082
Negritude
+0

Avogadro 1.0.1 was released on 28 April 2010. Go to the developer's web site to download.

Reply0 replies
Version 1.0.0
Jerrodho Member IconComment+2
Jerrodho
+0

Release on Mole Day... cute. ;-)

Reply0 replies
Version 1.0.0
Krioni Member IconReview+86
Krioni
+1

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.

Reply1 reply
Version 0.8a
Krioni
+1

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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Details

Downloads 9,729
Version Downloads 286
License Free
Date 16 Feb 2014
Platform Intel 64 / OS X
Price Free
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