AtomicChargeCalculator

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AtomicChargeCalculator

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Atomic Charge Calculator III (ACC III) is an application for fast calculation of partial atomic charges.

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[![zenodo](https://zenodo.org/badge/DOI/10.1093/nar/gkag379.svg)](https://doi.org/10.1093/nar/gkag379)
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# Atomic Charge Calculator III

[Atomic Charge Calculator III](https://acc.biodata.ceitec.cz) (ACC III) is a web application for fast calculation of partial atomic charges.

The computations are carried out by its C++ [ChargeFW2](https://github.com/sb-ncbr/ChargeFW2), which can also be used as a standalone application.
It features [20 empirical methods](https://acc.biodata.ceitec.cz/methods.pdf) along with parameters from the literature.

## How to cite
If you found Atomic Charge Calculator helpful, please cite:

[Raček T., Pilát M., Schindler O., Bučeková G., Tichý D., Berka K., Svobodová R. (2026). Atomic Charge Calculator III: a modern platform for calculating partial atomic charges. Nucleic Acids Research](https://doi.org/10.1093/nar/gkag379).

AtomicChargeCalculator

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