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Avogadro and Ray Traced Molecular Orbitals/Surfaces

Posted by Marcus D. Hanwell on

In the last month or two I have been making a large number of changes to the core classes in Avogadro. I will hopefully find the time to discuss this in the near future. One of the other things I have found the time to add is support for rendering meshes in POV-Ray.

The images in this post demonstrate a benzene molecular orbital, and an electrostatic surface potential mapped onto the Van der Waals surface of the molecule. Click on the images to see a big version (1600x1200). There are still lots of improvements but I hope these latest changes will enable people to better visualise surfaces. The addition ofa POV-Ray rendering dialog means that if the command line povray application is installed then Avogadro will automatically execute if for you.

I will hopefully find the time to post more on the changes in Avogadro soon. Life is really busy right now and so I have been a little quieter about progress than usual. Things are still happening and I still want to make your molecules beautiful ;-)

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Wade on :

WadeThe quality of these renderings are really impressive. Great work.

Anon on :

AnonVery nice!

Geoffrey Hutchison on :

Geoffrey HutchisonOf course Marcus is a perfectionist -- so we look at the images and are impressed by the rendering quality. He looks at them and says "there are still lots of improvements." :-)

Marcus D. Hanwell on :

Marcus D. HanwellYou need perfectionists like me. I am pretty pleased with it, I would just like some higher density cubes to produce more perfect meshes. This is certainly great for producing graphics for papers, posters and presentations. POV-Ray even gives transparent backgrounds.

Next - fog...

Antoine Pairet on :

Antoine PairetGreat! Congratulations

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