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Starting pdb file
Specfiy up to two target residues. Format: Res1:Ch1,Res2:Ch2, Example: 90:A,100:B.:
Distance from solvent (in angstroms) to consider points "surface" and be excluded from the "deep" pocket. Lower values are useful when a small molecule binding pocket is very shallow.:
Size of the grid (in angstroms) around the target residue(s) in each direction. Often needs to be lowered when the surface distance (above) is lowered.: