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IISc-Software-iGEM / bept

Bept - Beginner friendly Electrostatics for Protein analysis Tool, made by IISc-Software Team 2024
https://bept.readthedocs.io/en/latest/
MIT License
6 stars 10 forks source link

Adding NumPy.gradients info #20

Closed Nandan-Aditey closed 1 month ago

AnirudhG07 commented 1 month ago

Good, now see this code and try to mention how "we" are using this concept to calculate the gradient of the lattice and for each atom.