Author:Feng Yu This branch is designed based on single_publish version.
In this branch, we have two types of functions.
The first type of functions is designed for analyzing single pdb/xtc file.
The second type of functions is designed for multi-protein analysis based my simulation data structure.
We will focus on explaining the first type of functions in this readme file.
Basic usage of the database: ##copy from the main
File structure: Our main script will usually called the function in default_function.py. Therefore, the main function will not directly interact with the backend.
The functions in default_function.py are calling the function in the backend to generate a interaction map or calculte the interaction strength.
The other files are storing functions having different purposes. We will explain some of them in the following paragraph.
Function explaination