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