Autogenerated Tag Syntax Documentation:


A scoring grid that gives bonuses for being within a certain distance range of an atom -- that is, between the inner radius to outer radius distances

<AtrGrid name="(&string;)" grid_name="(&string;)" bb="(&real;)" sc="(&real;)"
        ligand="(&real;)" inner_radius="(&real;)" outer_radius="(&real;)"
        weight="(&real;)" />
  • grid_name: The name used to insert the scoring grid into the GridSet
  • bb: The value assigned to the grid for backbone atoms; negative values are considered favorable. If provided, then both 'sc' and 'ligand' attributes need to be provided also
  • sc: The value assigned to the grid for sidechain atoms; negative values are considered favorable. If provided, then both 'bb' and 'ligand' attributes need to be provided also
  • ligand: The value assigned to the grid for ligand atoms; negative values are considered favorable. If provided, then both 'bb' and 'sc' attributes need to be provided also
  • inner_radius: The size of the inner radius used when defining the grid, in Angstroms; if provided, then 'outer_radius' attribute must be provided also; a default value of 2.25A is used if not provided
  • outer_radius: The size of hte outer radius used when defining the grid, in Angstroms; if provided, then the 'inner_radius' attribute must be provided also; a default value of 4.75A
  • weight: (REQUIRED) XRW TO DO