The Editing mode of MobyWat is used by Methods 1 and 3 (Jeszenői et al. 2016a) during the prediction of interface hydration structure. Editing mode works on the re-assembled solute (target+ligand) complex and water molecules predicted for the surface of the target molecule. Editing removes waters conflicting with the ligand structure.


A detailed User's Manual and test package for Editing mode can be found on the Download page