Nice Energy Level Diagrams with rxnlvl

Once again our friend at Eutactic has provided us with a way to create nice energy level diagrams and was kind enough to let me reblog his post. If you haven’t checked his blog please do so and encourage him to write more often.
This post is best served with:


I have written a bit of code lately which automates the process of constructing chemical reaction energy level diagrams rather well. It’s called rxnlvl. It’s written in Python, outputs to SVG (Scalable Vector Graphics) and is GPL3. I’m not a ninja programmer by any stretch of the imagination, however the program is basically functional, and in my estimation yields quite attractive results.

ImageYou can check it out at

Enjoy, and if you find it useful I encourage you to show me what you’ve done with it.




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About joaquinbarroso

Computational and theoretical chemist in his early forties, in love with life, science, baseball, and literature. Science literacy makes us responsible citizens, it is therefore a scientific duty to talk, write, and engage with the general public; as Feynman said, if you find science boring, your learning from the wrong teacher. "Make like a molecule and react!"

Posted on January 23, 2014, in Uncategorized. Bookmark the permalink. 5 Comments.

  1. Venkata Suryakumar

    sir, your blog simply super….and giving lot of information…Thank you for such a nice work….. I have a small problem….. in order to calculate fukui functions, i am in a dilemma about the q value to be taken and N+1, N,N-1 values alsocould you please elaborate, how we can get these q and N values(i.e., from gaussian output or any other mode. if they are from gaussian output, how we can find them from output file)??

    iam looking forward to here from you sir…..

  2. KANHOUNNON G.Wilfried

    All this is nice and really nice. How to get on the way you are already far on, there is the question. Thanks.

  3. Doctor Joaquin Buenas queria consultarle si usted nos puede dar un pequeño curso via skype sobre la polarizabilidad. de moleculas somo estudiantes de quimica computacional muchas gracias..
    y estamos interesados en el uso de ese descriptor.
    Gracias.. este es mi correo

    • Hola Luis,

      No es mala idea! Por el momento mis ocupaciones me lo impiden pero tratemos de organizar algo en el futuro cercano. Envíame un correo con más detalles de quienes tomarían este curso y en que ubicación.

      Saludos y perdona la tardanza de mi respuesta

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