DanOlds / CATS

Gui to perform simple Combinatorial Appraisal of Transition States (CATS).

Geek Repo:Geek Repo

Github PK Tool:Github PK Tool

You must be in the right python enviornment (2.7, certain packages installed, clear of mind, pure of soul, etc.)

To accomplish this, open your anaconda terminal (download anaconda or miniconda), navigate to this folder, and type the following command:

conda env create

This will create a conda environment, downloading things as neccesary, which is suitable to run CATS.

It might take a few minutes. Go have a coffee.

When it is done, you must activate the new python envionrment each time, before running cats. Basically, it tells the anaconda terminal which version of python you want to run.

To do this, type the following command:

activate cats_python

Then, you should be all setup to go! Cats is run using the command:

python cats_v1.py

Happy tracking of combinatorial states :)

  • Dan

About

Gui to perform simple Combinatorial Appraisal of Transition States (CATS).

License:Apache License 2.0


Languages

Language:Python 100.0%