This is a plugin for PyMol 2.x to calculate and show the dipole moment vector of a proteine structure in pdb format. It is coded in Python 3 with PyQT5 (PySide2). Charge attributions are performed using pdb2pqr (https://pdb2pqr.readthedocs.io/en/latest/getting.html) with the PARSE force field.
Method:
I) Calculate the center of Mass of the protein (COM).
II) Calculate a COM charge vector for each atom of the protein.
III) Sum up all charge vectors to obtain a protein net charge Vector.
IV) Calculate the Dipole moment in Debye and draw the protein net charge Vector.\
The plugin uses numpy libraries to calculate vectors and the cgo-arrow.py script (https://github.com/gnina/scripts/blob/master/cgo_arrow.py).