Nice Energy Level Diagrams with rxnlvl

joaquinbarroso:

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: http://joaquinbarroso.com/2012/06/13/1027/

Originally posted on eutactic:

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 https://github.com/eutactic/rxnlvl

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

 

Regards,

    -r

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About joaquinbarroso

Theoretical chemist in his early thirties, in love with life and deeply in love with his woman. I love science, baseball, literature, movies (perhaps even in that order). I'm passionate about food and lately wines have become a major hobby. In a nutshell I'm filled with regrets but also with hope, and that is called "living".

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 ohm.higgs@hotmail.com

    • 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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