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This May Consist of 2 Major Parts: How To Use Autodock Vina?
This May Consist of 2 Major Parts: How To Use Autodock Vina?
This May Consist of 2 Major Parts: How To Use Autodock Vina?
PART: I
Edit the .pdbqt file names and grid size in config.txt file
If you performed docking already using AutoDock, you could able to get these grid
values from your ‘protein.gpf’ file.
If you wish to create or edit this ‘config.txt’ file in Windows environment you
better to use Notepad++ or ConTEXT or TextPad editor(s)
Congratulations! Now you are successfully create the config.txt file for AutoDock Vina input
PART: II
Now, We’re going to perform the AutoDock Vina
Log in to linux (Ubuntu)
STEP: 1 Create a folder
(i) protein.pdbqt
(ii) ligand.pdbqt (You could able to prepare these files from AutoDock Tools)
(iii) vina program file (You could able to download this file from web)
(iv) Just before we’re created the config.txt file for our ligand and their target
receptor (Model file has been enclosed)
STEP: 3 Open the Terminal
Statement explanation:
Statement explanation:
Statements:
cd /home/mani/Desktop/Vina\ Docking/
./vina --config config.txt
Performing Docking
Print the results