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Is it possible to re-score a given set of GOLD solutions using an alternative scoring function?

April 26, 2017alternative function given gold possible re-score scoring solutions

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Is it possible to re-score a given set of GOLD solutions using an alternative scoring function?

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Yes, using the Rescore solutions tick box in the Fitness & Search Options section of the Configuration Options tree. Rescoring, like docking, requires a prepared protein input file and a fully defined binding site (preferably the same definition that was used for the original docking). The ligand file, scoring function and output preferences must also all be specified. Please refer to the GOLD user guide for further information.