Alexandre Bonvin bio photo

Computational Structural Biology group focusing on dissecting, understanding and predicting biomolecular interactions at the molecular level.

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HADDOCK2.2 manual

      Generate Ambiguous Interaction Restraints (AIRs)


      Define the active and passive residues for each molecule.
      Use blank spaces or commas between residue numbers.

        E.g.     10 11 13 15    or    10,11,13,15
      Active residues for 1st molecule:
      Passive residues for 1st molecule:
      Segid of 1st molecule:
      Active residues for 2nd molecule:
      Passive residues for 2nd molecule:
      Segid of 2nd molecule:
      Active residues for 3rd molecule:
      Passive residues for 3rd molecule:
      Segid of 3rd molecule:
      Active residues for 4th molecule:
      Passive residues for 4th molecule:
      Segid of 4th molecule:
      Active residues for 5th molecule:
      Passive residues for 5th molecule:
      Segid of 5th molecule:
      Active residues for 6th molecule:
      Passive residues for 6th molecule:
      Segid of 6th molecule:
      Upper distance limit for AIRs:


      Use "cut and paste" or save the generated AIR restraints to disk using "File save as"


      Please send any suggestions or enquiries to Alexandre Bonvin