AutoGrid Parameters
Macromolecule
Grid Data File
Ligand
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Atom Types in Ligand
Model Internal Hydrogen Bonding: O-H
no
yes
N-H
no
yes
S-H
no
yes
Center of Grids
Number of grid points:
Spacing between points in grid (Angstrom):
Smooth factor: store minimum energy within radius(Angstrom):
Dielectric Constant type:
distance dependent
user-defined
User-specified Dielectric Constant:
Generate floating_point grid?
yes
no
When all parameters are entered, click this button->