Using Multiple NMR solutions to Estimate Native Binding Orientation

HADDOCK
5

There is an easy way to keep track of which models have been used to generate a HADDOCK model at any stage of it. You can find in the tools/ directory of any successfully finished job a script called PDBtraceback.py.
To use it:

  • Change the name of the job directory to “run”.
  • Go to the new “run” directory.
  • Run the following command:
    $> python tools/PDBtraceback.py
  • A traceback.list file is created with the list of the HADDOCK models at each stage with the PDBs used as input.

I hope this will help you,

Regards,
Mikael

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