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Does GOLD calculate atomic charges?

April 26, 2017Atomic CALCULATE Charges gold

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Does GOLD calculate atomic charges?

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GOLD ignores both formal and partial charges. It deduces whether an atom is charged by counting the bond order of the atom and comparing the result with the atom’s normal valency. For this reason, it is essential that your the bond and atom types are set up correctly for both the protein and the ligand. For further information, please refer to the GOLD Online documentation.