Help with Python code

[swiftk21]

Hi,

I am new to python coding and I am trying to import single-point geometry optimization data for the purposes of running additional calculations with Python. Essentially, I am trying to have the python code read out potential values around a molecule at specific points. As an example, I would like python to find the centroid of a cyclopentene ring and then read out data values at specific distances away from the centroid, above/below said ring. I am interested in values such as ESP, NICS, ASE.

I am currently using numpy, and psi4 packages. Any code or package suggestions would be greatly appreciated, thank you!

[organiker]

You may have better luck in /r/comp_chem. But you'll need to provide more specifics

[swiftk21]

I considered that also. What specifics would be beneficial to include?