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Updated discoverer instructions
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education/HADDOCK3/HADDOCK3-antibody-antigen/index.md

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@@ -179,7 +179,8 @@ structure of the complex.
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If you are running this tutorial on your own resources _download and unzip the following_
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[zip archive](https://surfdrive.surf.nl/files/index.php/s/R7VHGQM9nx8QuQn){:target="_blank"}
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_and note the location of the extracted PDB files in your system_.
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If running as part of the EU-ASEAN HPC school see the instructions in the next section.
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__If running as part of a BioExcel workshop or summerschool see the instructions in the next section.__
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_Note_ that you can also download and unzip this archive directly from the Linux command line:
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This will create the `HADDOCK3-antibody-antigen` directory with all necessary data and scripts and job examples ready for submission to the batch system.
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HADDOCK3 has been pre-installed. To activate the HADDOCK3 environment type:
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HADDOCK3 is part of the standard software supported on discoverer. To activate the HADDOCK3 environment load the following modules:
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<a class="prompt prompt-cmd">
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source /valhalla/projects/school-01/HADDOCK/haddock3/.venv/bin/activate
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module load python/3/3.12<br>
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module load haddock3/2025.5.0
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</a>
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You can then test that `haddock3` is indeed accessible with:
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#SBATCH --mem-per-cpu 1500
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#SBATCH --time 04:00:00
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source /valhalla/projects/school-01/HADDOCK/haddock3/.venv/bin/activate
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module load python/3/3.12
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module load haddock3/2025.5.0
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haddock3 workflows/docking-antibody-antigen.cfg
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{% endhighlight %}

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