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Step 2 - Creating the electrostatic and atomic affinity grids

This step is necessary only if you are positioning in the presence of another molecule, for example the binding site of a protein. To create the electrostatic and atomic affinity grids type the command




GridsRUs -p ZZZ.par



The electrostatic grid will be written to the file E.grid, the hydrogen affinity grid will be written to the file H.grid etc.. Fortunately, Blob looks for the same files.



David Diller
1999-02-18