ADL: Autodock problem for Grid generation

Haipeng hU hhu2 at
Wed Apr 1 08:33:42 PDT 2009


     I just begin to use autodock to do some molecular docking. I met a problem in the grid generation step. In the tutorial, you should 'set map types' based on a ligand when preparing the GPF file. Is that means I should generate a grid file for each of my ligand, since I have a bounch of ligands need to be docked into the same binding site of a macromolecule. If not, some of my ligand contain CL or F atoms, so there is no or that can be used in the docking step. Can anybody help me solve this problem? Thanks 

Haipeng Hu

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