Nov 28 2023
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How to Dock or Minimize a Ligand in the Grid maps:
If you dock a chemical spreadsheet will be displayed with the docking results. Use the check box in column 'L' to display the docked ligand or double click to load the ligand into the ligand editor.
A guide to the table columns:
Once docked you can toggle the docked ligand display on or off using the "L" column in the hitlist or you can load the docked chemical into the receptor for modification:
How to undertake an all-atom minimization in Cartesian coordinates:
How to change the size of the docking region:
The purple box represents the region in which the energy maps are generated. If you want to change the size of this region you can do so by displaying the box (go to Advanced menu) and clicking and dragging on the corners of the purple box. The maps will then be remade on the fly.
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