Autodock result protein-ligand interaction analysis using pymol | pymol biomolecules

The autodock result pdbqt file can be analysed using the schrodinger's pymol software. the 3d interactions can be taken as high quality images.
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[@arshiaamjad9220]

very informative video !!!!

[@Piyalimukh03]

How you get the complex file of protein and ligand?

[@pymolbiomolecules]

After the docking process you get the complex file

[@mauricioreyes7947]

Hi, can you do all the steps just with PyMOL coding? (For example, selection of residues interacting with ligand)

[@pymolbiomolecules]

Yes it can be done 👍

[@muhammadfaisalmsc4397]

Sir I want to ask, I also use autodock to do docking, then I got dlg file. How to combine the macromolecule and the ligand? Any information will be valuable for me, thanks

[@manasii9292]

hey. you found out the answer?

[@samvedkulkarni4705]

1. Open Autodock 2. Go to "Analyze". 3. Go to Dockings----> Open(open your .dlg file) 4. Click on Macromolecule. Select it/open it(depends on location set in preferences) 5. Click on "Conformations". " Select Play, ranked by energy." 6. You will be able to see all interactions one by one. 7. On the panel you will see a & symbol. Click on it and and select "Write complex". 8. Save the file as .pdbqt(if you want to check interaction in pymol) or .pdb(if you want to check interactions in Biovia). Hope this helps.