Is it possible to re-score a given set of GOLD solutions using an alternative scoring function?
Yes, using the Rescore solutions tick box in the Fitness & Search Options section under Global Options when using the GOLD Setup GUI. 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(s) file(s), scoring function and output preferences must also all be specified.
It is possible to rescore both GOLD docking poses & docking poses from other docking packages in this manner.
Please refer to the GOLD user manual for further information.
Need more help?
Contact CCDC Support.