CODGAS Installation

Verify that you have python 2.7+

Download and install DEAP (https://github.com/DEAP/deap) joblib and SCOOP (https://github.com/soravux/scoop) libraries ("pip install deap", "pip install scoop", "pip install joblib").

Download the CODGAS SIR python script here (this works for non SIR too)

Install R (https://www.r-project.org/) -- CODGAS expects this to be installed in /usr/bin/R, but you can install it wherever you want if you change the path in the code.

(Optional) Download accessory scripts to use SHELX for structure solution

1. Perl script to setup all possible SHELX jobs

2. slurm submission script used by the above script.