partial-atomic-charges
Here are 9 public repositories matching this topic...
Atomic Charge Calculator II (ACC II) is an application for fast calculation of partial atomic charges.
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Sep 26, 2024 - TeX
𝛂Charges: A tool for the quick calculation of partial atomic charges for protein structures from AlphaFoldDB
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Dec 19, 2024 - Python
Analyze classical electric fields within chemical structures
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Oct 13, 2021 - C++
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Dec 17, 2024 - Python
Mol\* (/'mol-star/) plugin for viewing partial atomic charges.
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Sep 29, 2024 - TypeScript
PDBCharges is a web application providing partial atomic charges of protein structures from the Protein Data Bank.
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Dec 19, 2024 - HTML
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