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Copy file name to clipboardExpand all lines: education/HADDOCK24/HADDOCK24-protein-protein-basic/index.md
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@@ -105,6 +105,9 @@ Try to locate the histidines in this structure.
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<aclass="prompt prompt-question">Is there any phosphate group present in this structure?</a>
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*Hint* : you can select phosphate atoms with the following PyMOL command:
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<aclass="prompt prompt-pymol">select elem P</a>
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Note that you can zoom on the histidines by typing in PyMOL:
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<aclass="prompt prompt-pymol">zoom resn HIS</a>
@@ -506,6 +509,14 @@ In the blind protein-protein prediction experiment [CAPRI](https://capri.ebi.ac.
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rms_cur cluster1_1 and chain B, 1GGR<br>
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</a>
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**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:
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<aclass="prompt prompt-pymol">
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align cluster1_1, 1GGR, cycles=0<br>
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</a>
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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.
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In CAPRI, the l-RMSD value defines the quality of a model:
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