[chimerax-users] Analysis of docking results

Luigi Marongiu luigi.marongiu at outlook.com
Wed Dec 14 03:02:16 PST 2022


Dear sir or madam,
I am new to docking analysis.
I obtained a model from SwissDock but there are some commands that do not work on ChimeraX.

  1.  I can load the molecule, which is composed by 4 homo-chains. I can select one chain (A); how can I delete or hide chains B-D. I can select chain A using select>chain​`; is there a way to hide the others?
  2.  The model (saved in the file clusters.dock4.pdb) shows several ligands:
[cid:c289e47f-ca49-4f27-9ad6-acef069f976e][cid:728d8f47-8cfb-445c-9476-ebb8a9d54ef9]
Is there a way to show only the ligands with the highest docking score?
3. the tools>binding analysis>ViewDockX​` says that "No suitable models found for ViewDockX". But is not this the "clusters.dock4.pdb"? How can I load the model into ChimeraX?

Thank you.


Best regards,

Luigi Marongiu
Ph.D., B.Sc. (Hons.)

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