Constraining a docking study

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- October 18, 2011 at 12:26 pm #1056
  Anonymous
  Is it possible to add a constraint between a ligand and a receptor in a docking study?
  
  Thanks,
  Jessica
- October 18, 2011 at 2:07 pm #6138
  Anonymous
  Yes. Small ligand docking runs through RosettaScripts, which is constraints-compatible; protein docking runs though the docking mode, which I also believe is compatible with constraints. http://www.rosettacommons.org/manuals/archive/rosetta3.3_user_guide/constraint_file.html
- October 18, 2011 at 6:38 pm #6142
  Anonymous
  Additionally, if you have enzdes-style constraints (http://www.rosettacommons.org/manuals/archive/rosetta3.3_user_guide/app_match_enzdes_cstfile.html), the non-RosettaScripts ligand docking application (http://www.rosettacommons.org/manuals/archive/rosetta3.3_user_guide/app_ligand_dock.html) should be able to handle them when passed with the -enzdes:cstfile flag.
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