A web-based interface to generate visualizations of the rates of various steps in a catalytic cycle, which can be customized by the user. Population of a web form using known data will generate a graphic for annotation by the user to represent their chemistry. The running Catacycle app can be found at www.Catacycle.com.
- Create a python virtual environment with a python 3.7 interpreter. It may well work on earlier python versions but this is untested.
- In the main Catacycle directory, and within the virtual environment, run
pip install -r requirements.txt
python flask_app2.py
- Visit http://localhost:5000 in your web browser.
The main python components lie within the app subdirectory.
- drawing_helpers.py contains the implementation of drawing individual arrows using matplotlib functions.
- oboros.py strings together the drawing functions to create a cycle using the input from the web form.
- form.py and routes.py contain the backend of the website using the flask framework.