Automated my docking results by using script
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9 days ago
iamsmor • 0

Hello everyone

For my project I did many docking with three ligand to proteins via Autodock vina tool. And I got results as output pdbqt and I convert them to pdb as I learn pdbqt not applicable for DSV. Can anyone help me how can I automated docking results for visualization I mainly focus creating 2d diagram ligand-receptor interaction so I have same protocols for all results .

Thank you for any kind

Receptor-ligand-interaction DSV VINA • 162 views
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Entering edit mode
9 days ago
dthorbur ★ 2.1k

There is an existing post with a solution for converting pdbqt to pdb format.

Regarding the visualisation, batch emitting images from something like PyMol module in python is a pretty standard operation. I would suggest learning some PyMol programming.

You can write a script to emit a 2D image, spin the complex in PyMol, emit another, etc... and then use something like montage to put them all into a single image.

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