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Article ID: 1049 - Last Modified: June 2, 2011

I would like to display the hydrophobic interactions between a ligand and protein. I tried to do this by only showing the good contacts in the Measurements panel (under Tools → Measurements → Contacts in the Maestro menu), but it required me to exclude polar atoms using an ASL expression. Is there an easier way to do this?

Yes, we have a script on the Script Center called display_hydrophobic_interactions.py for this task. The ligand and the protein are automatically detected and the polar atoms will be excluded from the display of good interactions.

Keywords: hydrophobic, contacts

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