Wednesday, August 15, 2012

Avogadro: An advanced semantic chemical editor, visualization, and analysis platform

from: http://avogadro.openmolecules.net/wiki/File:Avogadro-unitcell.png

Readers of this blog will know that I am a fan of Avogadro.   A paper describing Avogadro has now been published in the open access Journal of Cheminformatics.  I am telling you this for two reasons:

1) The paper probably describes options in Avogadro you didn't know about, so check it out.

2) Please support the Avogadro developers by citing this paper when you are writing up projects where you have used Avogadro in some way.

This also seems a good time to say Thank You! to Geoff, Marcus, Donald, David, Tim, and Eva for all their hard work and, not least, for making it freely available to the rest of us.

Creative Commons License
This work is licensed under a Creative Commons Attribution 3.0 

6 comments:

Blake said...

Jan, just wanted to give you a quick shout out -- I'm teaching my first course in computational chemistry (came from Iowa State, so familiar with GAMESS and Mark Gordon), and am SO THANKFUL for your book, blog, and turning me on to Avogadro. I will be incessantly referring my students to your blog and book, so hope it helps. You provide a great service to the research and teaching community!

Jan H. Jensen said...

Thanks very much! Comments like this make my entire week.

SF said...

Hello,

I am using Avogadro for last 5-6 years. And in my papers (in-press)I have cited it.

I have used it to get the initial guesses. Now I want to use it for crytallography purpose. But I could not find any tutorial/ document regarding that. Could you please download some or give me a lead.

Thank you

Shaheen

Jan H. Jensen said...

Unfortunately I don't really know enough about crystallography to make a tutorial. Sorry!

Anonymous said...

Hi Jan,

I just found your blog and I think it is wonderful. Since you are fan of Avogadro I would like to ask you something: is it possible to use Avogadro through command line under Windows or under Linux?

Jan H. Jensen said...

I am happy to hear you find the blog useful!

I use Avogadro on my Mac so I can't really help you with your question. I suggest posting it on the Avogadro mailing list: https://lists.sourceforge.net/lists/listinfo/avogadro-discuss