Calculation of partial atomic charges

List of our software providing with atomic charges calculation:
αCharges
Atomic Charge Calculator II


αCharges 

AlphaCharges (αCharges) is a web application for the calculation of partial atomic charges on protein structures predicted by the AlphaFold2 algorithm and deposited in the AlphaFoldDB database. Read more in NAR.

   


Atomic Charge Calculator II 

Atomic Charge Calculator II (ACC II) is an application for fast calculation of partial atomic charges. It features 20 empirical methods along with parameters from literature. Read more in NAR.