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Merge pull request #714 from rvhonorato/gentbl
Update `GenTBL` links
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education/HADDOCK/HADDOCK-binding-sites/index.md

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2. For the subsequent flexible refinement stages, we define the binding pocket only as passive and the ligand as active.
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This ensures that the ligand can explore the binding pocket.
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In order to create those two restraint files, use the HADDOCK server tool to generate AIR restraints: [https://alcazar.science.uu.nl/services/GenTBL/](https://alcazar.science.uu.nl/services/GenTBL/) (unfold the *Residue selection* menu):
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In order to create those two restraint files, use the `Generate Restraints` option from the haddock-restraints tool accessible at [https://wenmr.science.uu.nl/haddock-restraints/](https://wenmr.science.uu.nl/haddock-restraints/):
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<a class="prompt prompt-info">
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Selection 1: Active residues (directly involved in the interaction) -> enter here the list of residues defining the binding site (see above)

education/HADDOCK24/HADDOCK24-binding-sites/index.md

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2. For the subsequent flexible refinement stages, we define the binding pocket only as passive and the ligand as active.
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This ensures that the ligand can explore the binding pocket.
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In order to create those two restraint files, use the HADDOCK server tool to generate AIR restraints: [https://alcazar.science.uu.nl/services/GenTBL/](https://alcazar.science.uu.nl/services/GenTBL/) (unfold the *Residue selection* menu):
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In order to create those two restraint files, use the `Generate Restraints` from the haddock-restraints tool accessible at [https://wenmr.science.uu.nl/haddock-restraints/](https://wenmr.science.uu.nl/haddock-restraints/):
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<a class="prompt prompt-info">
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Selection 1: Active residues (directly involved in the interaction) -> enter here the list of residues defining the binding site (see above)

education/HADDOCK24/HADDOCK24-local-tutorial/index.md

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</a>
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Once you have defined your active and passive residues for both molecules, you can proceed with the generation of the AIR restraint file for HADDOCK.
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For this you can either make use of our online [GenTBL](https://alcazar.science.uu.nl/services/GenTBL/){:target="_blank"} webserver, entering the list of active and passive residues for each molecule, and saving the resulting restraint list to a text file, or use another `haddock-tools` script.
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For this you can either make use of our online `Generate Restraints` [haddock-restraints](https://wenmr.science.uu.nl/haddock-restraints/){:target="_blank"} web service, entering the list of active and passive residues for each molecule, and saving the resulting restraint list to a text file, or use another `haddock-tools` script.
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To use our `haddock-tools` `active-passive-to-ambig.py` script you need to create for each molecule a file containing two lines:
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* The first line corresponds to the list of active residues (numbers separated by spaces)

education/HADDOCK24/HADDOCK24-protein-DNA-advanced/index.md

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Basic knowledge on the principles and use of HADDOCK is useful but not required.
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We will be using the HADDOCK 2.4 webserver [https://wenmr.science.uu.nl/haddock2.4/](https://wenmr.science.uu.nl/haddock2.4/) to perform the docking and the standalone version of HADDOCK to perform the analysis of the results.
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* R.V. Honorato, M.E. Trellet, B. Jiménez-García1, J.J. Schaarschmidt, M. Giulini, V. Reys, P.I. Koukos, J.P.G.L.M. Rodrigues, E. Karaca, G.C.P. van Zundert, J. Roel-Touris, C.W. van Noort, Z. Jandová, A.S.J. Melquiond and **A.M.J.J. Bonvin**. [The HADDOCK2.4 web server: A leap forward in integrative modelling of biomolecular complexes](https://www.nature.com/articles/s41596-024-01011-0.epdf?sharing_token=UHDrW9bNh3BqijxD2u9Xd9RgN0jAjWel9jnR3ZoTv0O8Cyf_B_3QikVaNIBRHxp9xyFsQ7dSV3t-kBtpCaFZWPfnuUnAtvRG_vkef9o4oWuhrOLGbBXJVlaaA9ALOULn6NjxbiqC2VkmpD2ZR_r-o0sgRZoHVz10JqIYOeus_nM%3D). _Nature Prot._, Advanced Online Publication DOI: 10.1038/s41596-024-01011-0 (2024).
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* R.V. Honorato, M.E. Trellet, B. Jiménez-García1, J.J. Schaarschmidt, M. Giulini, V. Reys, P.I. Koukos, J.P.G.L.M. Rodrigues, E. Karaca, G.C.P. van Zundert, J. Roel-Touris, C.W. van Noort, Z. Jandová, A.S.J. Melquiond and **A.M.J.J. Bonvin**. [The HADDOCK2.4 web server: A leap forward in integrative modelling of biomolecular complexes](https://www.nature.com/articles/s41596-024-01011-0.epdf?sharing_token=UHDrW9bNh3BqijxD2u9Xd9RgN0jAjWel9jnR3ZoTv0O8Cyf_B_3QikVaNIBRHxp9xyFsQ7dSV3t-kBtpCaFZWPfnuUnAtvRG_vkef9o4oWuhrOLGbBXJVlaaA9ALOULn6NjxbiqC2VkmpD2ZR_r-o0sgRZoHVz10JqIYOeus_nM%3D). _Nature Prot._, Advanced Online Publication DOI: 10.1038/s41596-024-01011-0 (2024).
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#### Tutorial data set
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This plugin (`AIRviewer.py`) comes as part of the tutorial data set, and you will be instructed on how to use it during the course of this part.
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The plugin combines the ability to construct custom restraint sets for multi-body systems with the convenience of a visual appreciation of the resulting restraints network.
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An alternative to the use of this plugin is a special HADDOCK interface available at: [https://wenmr.science.uu.nl/gentbl/](https://wenmr.science.uu.nl/gentbl/)
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An alternative to the use of this plugin is a special HADDOCK `Generate Restraints` web interface available at: [https://wenmr.science.uu.nl/haddock-restraints/](https://wenmr.science.uu.nl/haddock-restraints/)
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#### Constructing AIRs for protein-DNA systems
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education/HADDOCK24/HADDOCK24-protein-glycan/index.md

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<!-- Links -->
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[air-help]: https://www.bonvinlab.org/software/haddock2.4/airs/ "AIRs help"
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[gentbl]: https://wenmr.science.uu.nl/gentbl/ "GenTBL"
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[haddock-restraints]: https://wenmr.science.uu.nl/haddock-restraints "haddock-restraints"
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[haddock24protein]: /education/HADDOCK24/HADDOCK24-protein-protein-basic/
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[haddock-repo]: https://github.com/haddocking/haddock3 "HADDOCK3 GitHub"
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[installation]: https://www.bonvinlab.org/haddock3/INSTALL.html "Installation"

education/HADDOCK3/HADDOCK3-antibody-antigen/index.md

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### Defining ambiguous restraints
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Once you have identified your active and passive residues for both molecules, you can proceed with the generation of the ambiguous interaction restraints (AIR) file for HADDOCK.
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For this you can either make use of our online [GenTBL][gentbl] web service, entering the list of active and passive residues for each molecule,
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For this you can either make use of our online `Generate Restraints` [haddock-restraints][haddock-restraints] web service, entering the list of active and passive residues for each molecule,
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the chainIDs of each molecule and saving the resulting restraint list to a text file, or use another `haddock3-restraints` sub-command.
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To use our `haddock3-restraints active_passive_to_ambig` script, you need to
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<!-- Links -->
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[air-help]: https://www.bonvinlab.org/software/haddock2.4/airs/ "AIRs help"
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[gentbl]: https://wenmr.science.uu.nl/gentbl/ "GenTBL"
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[haddock-restraints]: https://wenmr.science.uu.nl/haddock-restraints/ "haddock-restraints"
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[haddock24protein]: /education/HADDOCK24/HADDOCK24-protein-protein-basic/
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[haddock-repo]: https://github.com/haddocking/haddock3 "HADDOCK3 GitHub"
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[haddock-tools]: https://github.com/haddocking/haddock-tools "HADDOCK tools GitHub"

education/HADDOCK3/HADDOCK3-antibody-antigen/index.md-BioExcel2024

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### Defining ambiguous restraints
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Once you have identified your active and passive residues for both molecules, you can proceed with the generation of the ambiguous interaction restraints (AIR) file for HADDOCK.
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For this you can either make use of our online [GenTBL][gentbl] web service, entering the list of active and passive residues for each molecule,
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For this you can either make use of our online `Generate Restraints` [haddock-restraints][haddock-restraints] web service, entering the list of active and passive residues for each molecule,
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the chainIDs of each molecule and saving the resulting restraint list to a text file, or use another `haddock3-restraints` sub-command.
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To use our `haddock3-restraints active_passive_to_ambig` script, you need to
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<!-- Links -->
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[air-help]: https://www.bonvinlab.org/software/haddock2.4/airs/ "AIRs help"
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[gentbl]: https://wenmr.science.uu.nl/gentbl/ "GenTBL"
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[haddock-restraints]: https://wenmr.science.uu.nl/haddock-restraints/ "haddock-restraints"
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[haddock24protein]: /education/HADDOCK24/HADDOCK24-protein-protein-basic/
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[haddock-repo]: https://github.com/haddocking/haddock3 "HADDOCK3 GitHub"
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[haddock-tools]: https://github.com/haddocking/haddock-tools "HADDOCK tools GitHub"

education/HADDOCK3/HADDOCK3-antibody-antigen/index.md-Bratislava

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Once you have defined your active and passive residues for both molecules, you
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can proceed with the generation of the ambiguous interaction restraints (AIR) file for HADDOCK.
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For this you can either make use of our online [GenTBL][gentbl] web service, entering the
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For this you can either make use of our online `Generate Restraints` [haddock-restraints][haddock-restraints] web service, entering the
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list of active and passive residues for each molecule, and saving the resulting
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restraint list to a text file, or use the relevant `haddock3-restraints` command.
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<!-- Links -->
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[air-help]: https://www.bonvinlab.org/software/haddock2.4/airs/ "AIRs help"
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[gentbl]: https://wenmr.science.uu.nl/gentbl/ "GenTBL"
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[haddock-restraints]: https://wenmr.science.uu.nl/haddock-restraints "haddock-restraints"
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[haddock24protein]: /education/HADDOCK24/HADDOCK24-protein-protein-basic/
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[haddock-repo]: https://github.com/haddocking/haddock3 "HADDOCK3 GitHub"
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[haddock-tools]: https://github.com/haddocking/haddock-tools "HADDOCK tools GitHub"

education/HADDOCK3/HADDOCK3-protein-glycan/index.md

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<!-- Links -->
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[air-help]: https://www.bonvinlab.org/software/haddock2.4/airs/ "AIRs help"
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[gentbl]: https://wenmr.science.uu.nl/gentbl/ "GenTBL"
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[haddock-restraints]: https://wenmr.science.uu.nl/haddock-restraints/ "haddock-restraints"
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[haddock24protein]: /education/HADDOCK24/HADDOCK24-protein-protein-basic/
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[haddock-repo]: https://github.com/haddocking/haddock3 "HADDOCK3 GitHub"
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[installation]: https://www.bonvinlab.org/haddock3/INSTALL.html "Installation"

education/biomolecular-simulations-2018/Metadynamics_tutorial/index.md

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2. For the subsequent flexible refinement stages, we define the binding pocket only as passive and the ligand as active.
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This ensures that the ligand can explore the binding pocket.
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In order to create those two restraint files, use the HADDOCK server tool to generate AIR restraints: [https://alcazar.science.uu.nl/services/GenTBL/](https://alcazar.science.uu.nl/services/GenTBL/) (unfold the *Residue selection* menu):
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In order to create those two restraint files, use the HADDOCK server tool to generate AIR restraints (in the Generate Restraints tab): [https://wenmr.science.uu.nl/haddock-restraints](https://wenmr.science.uu.nl/haddock-restraints/):
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<a class="prompt prompt-info">
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Selection 1: Active residues (directly involved in the interaction) -> enter here the list of residues defining the binding site

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