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11 changes: 11 additions & 0 deletions education/HADDOCK24/HADDOCK24-protein-protein-basic/index.md
Original file line number Diff line number Diff line change
Expand Up @@ -105,6 +105,9 @@ Try to locate the histidines in this structure.

<a class="prompt prompt-question">Is there any phosphate group present in this structure?</a>

*Hint* : you can select phosphate atoms with the following PyMOL command:
<a class="prompt prompt-pymol">select elem P</a>

Note that you can zoom on the histidines by typing in PyMOL:

<a class="prompt prompt-pymol">zoom resn HIS</a>
Expand Down Expand Up @@ -506,6 +509,14 @@ In the blind protein-protein prediction experiment [CAPRI](https://capri.ebi.ac.
rms_cur cluster1_1 and chain B, 1GGR<br>
</a>

**Note:** On some machines the pymol rms_cur command can fail due to a bug in the PyMOL software. In this case you can use the following command instead:

<a class="prompt prompt-pymol">
align cluster1_1, 1GGR, cycles=0<br>
</a>

This will align the two structures based on the all-atom RMSD, different from the ligand-RMSD (l-RMSD) that you can calculate with rms_cur and the above commands.

In CAPRI, the l-RMSD value defines the quality of a model:

* acceptable model: l-RMSD<10Å
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