Docktools

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Docktools is a suite of programs that are available to create grids used by Dock3.5 score function in DOCK 6 which is an implementation of the scoring function available in the older version of DOCK i.e., dock3.5.54. These programs can be used to generate steric, electrostatic and ligand and receptor desolvation grids. Dock3.5 scoring functionality in DOCK 6 is an alternate scoring approach to electrostatic interaction energy and also includes different grid-based methods for calculating ligand and receptor desolvation. Docktools consists of chemgrid, solvmap, solvgrid, grid-convert and grid-convrds. This section will briefly review the theory behind each of the programs and the describe the usage.