Molecular docking, Autodock vina
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4.4 years ago
krishavc92 • 0

how to save pdb file from autodock vina docking result

I am visualizing autodock vina results using PyMOL:

I open out.pdbqt (containing 9 docked conformations of ligand) I open pr.pdb (containing protein structure)

I want to have 1 pdb file containing one of conformations of ligand (for example number 1 which is the best pose) + protein structure. To this, I used File, Save molecule,

How to select both of them?

Any help will highly appreciated?

docking • 1.6k views
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3.6 years ago
db42 • 0

You can that using Discovery Studio, opening both receptor and ligand (pdbqt) files and saving them as a single pdb file.

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