The software program Bellatrix was developed for iGEM 2020. Bellatrix is a software written in Python, designed to download and format customized libraries of PDB (Protein Data Bank) data. Bellatrix has uses in ML applications, formating big data into a readily useable form.
Bellatrix formats PDB data into novel file type called a Star file. See the attached image for the anatomy of a Star file. A Star file is a .csv that contains matrices of vectors, where each vector is the vector from one alphacarbon to another.
See the Bellatrix.py file for indepth instruction on how to operate Bellatrix.
For a more detailed description of Bellatrix and its utility, please see this page: https://2020.igem.org/Team:Calgary/Bellatrix
INSTALLATION:
- download this folder to your computer
- ensure you have pip installed on your OS. If not, go to this link for instructions: https://phoenixnap.com/kb/install-pip-windows
- enter the command" pip install -r requirements.txt " into a command window/terminal to install dependencies
- type" python3 Bellatrix.py "into your command window and enjoy!