Tutorials



Setup Linux Box for Computational Chemistry.

[PDF]
This tutorial is mainly a collection of common tasks when setting up a Linux system for computational chemistry use. It's mainly based on Fedora, so it is also RedHat compatible. I try to keep it up to date, so right now it should work with Fedora 21.


Taller de Métodos Basados en el Modelo de Bloques Rígidos para el Modelamiento de Ácidos Nucléicos

Enlace a la pagina principal del taller.

Taller de modelamiento de acidos nucleicos usando el metodo de bloques rigidos dictado en la Universidad Nacional de Colombia.

Workshop on rigid-block based methods for modeling nucleic acids at the National University of Colombia.



Glycine Formation in the Interstellar Medium.

[PDF]
This is an old reserch proposal when I was interested in prebiotic chemistry in the interstellar medium. It's in Spanish, but I think it has a nice introduction to astrochemistry based mainly on the work of Eric Herbst and Mayo Greenberg.


Chemical Thermodynamics Constants and Relations

[PDF]
This is just a broad cheat-sheet with a collection of commonly used formulas in chemical thermodynamics. There is, aditionally a compilation of relevant constants and molecular scales.



Databases


Currently I'm actively developing a database on RNA base-pair steps.
A final goal of the database is for it to work pretty much independently from its developers by connecting periodically and automatically to the PDB to fish for the data which makes it up.
The database is located at:

http://rnasteps.rutgers.edu




Projects


querypdb

Our database is dependent in the growing number of X-Ray RNA structures in the Protein Data Bank. To automate the update process of our data scripts are needed to talk to the pdb. For example one can query the pdb via a python script using the PDB's RESTful database.

    git clone https://github.com/esguerra/querypdb.git
  





Scripts


You can follow the link below to access my collection of scripts and personal linux setup files, e.g. .bashrc


http://mesguerra.org/scripts