Question: Molecular docking, Autodock vina
gravatar for krishavc92
2.8 years ago by
University of Madras, Chennai
krishavc920 wrote:

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 • 1.2k views
ADD COMMENTlink modified 2.1 years ago by zappy0 • written 2.8 years ago by krishavc920
gravatar for zappy
2.1 years ago by
zappy0 wrote:

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

ADD COMMENTlink written 2.1 years ago by zappy0
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