' atom or functional group that is due to all the atoms in the macromolecule. Each point within the grid map stores the potential energy of a `
Typical grid point spacing varies from 0.2Å to 1.0Å, although the default is 0.375Å (roughly a quarter of the length of a carbon-carbon single bond). This could be a protein, enzyme, antibody, DNA, RNA or even a polymer or ionic crystal. A grid map consists of a three dimensional lattice of regularly spaced points, surrounding (either entirely or partly) and centered on some region of interest of the macromolecule under study. This helps to make the docking calculations extremely fast. For each atom type present in the ligand being docked.