ADL: Calcuate single point binding energy for a fixed ligand

Dong Xu quantum_mania at yahoo.com
Tue Jun 16 17:52:39 PDT 2009


Hi,

I have a ligand docked with other docking program and I'd like to use Autodock to calculate a single point binding energy for a particular binding pose. How do I fix the ligand coordinates in autodock? Or is there another program that I can directly use Autogrid maps?

Thanks,

-DX


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