Hi,

Hope the study will help you

https://realpython.com/python-traceback/

There are errors in the file you have used, i.e., the protein file.

First open the file in notepad and remove the unnecessary atoms, including water or any other solvents.

Shaban Ahmad Sir the notepad file contains Atoms, Hetatm, Conect. So do we just need to remove Hetatm for protein preparation or we had to remove Conect atoms too for a better-optimized purification?

Python download

https://youtu.be/EZCAtyksbv0