Plug-in Scoring Functions. Function used for docking and functions used for rescoring are selected and loaded at run time. Energy, PLP and PMF all work as plug-ins now.
The rescoring is now built into the main DockIt executable rather than being separate steps. Significant overall speedup.
Well defined API for user written scoring functions. Can be loaded at run time and developed without reference to the DockIt source code. DockIt requires gradient information from scoring function but not for rescoring functions.
General bug fixes and improvements to auxiliary programs.