Understanding MakeDOCK, which automates sphere and grid generation

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How to Use MakeDOCK

  • MakeDOCK automates the process of sphere and grid generation for a target.

Input file to MakeDOCK

  • The following files are required to specify the target for MakeDOCK:
  1. rec.pdb: Prepared receptor file
  2. xtal-lig.mol2 (or .pdb): Ligand specification file
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