/Stilde-Interpretation-and-Visualization

A program to sort and analyze large amounts of specific rotation analysis data. Then, using PyMol to superimpose vectors from the sorted data set onto molecules

Primary LanguagePython

Automation of sorting and visualization of Stilde values

This program makes sorting and analyzing Stilde values easier and more efficient. It first sorts the most important Stilde contributions using pandas. It then utilizes PyMol to visualize Stilde graphically as a set of vectors superimposed over a molecule.

Installation

Simply place the .py files in your directory of choice.

Documentation

Updated with each push