What do the options mean in Docking/Preferences/Charge Groups?
This relates only to the ligands: • NH2 = ICM will charge primary amines only • NH2 NH ICM will charge primary & secondary amines only • NH2 NH NT ICM will charge primary & secondary & tertiary amines only • NH2 NH NT imidazole ICM will charge primary/sec/tert and imidazoles. In the very latest version of ICM (3.7-2a) we have a prediction of pKA which will automatically charge each ligand according to the pKA prediction. If you want to change the charge of the residues on the receptor please right click on the ligand select mutate and their are uncharged versions of each residue. If you do this then you would have to re-make the maps.
