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
1 answer
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.
Log in to answer this question.
-
Diffdock
written by iamsmor •
-
molecular docking of thousands of proteins with a ligand
written by iamsmor •
-
Protein-protein docking analysis
written by mahafujulislamtonmoy •
-
Molecular Docking Parameters
written by biodano.geo •
-
scoring function in autodock
written by mohinismr6 •
-
Problems with sdf to pdb file conversion
written by mlovelace713 •
-
Different binding pockets from softwares
written by Janeeta Raja •
-
AutoDock Vina is reducing my ligand PDB
written by rbkh09 •
-
Molecular docking, Autodock vina
written by krishavc92 •
-
How to identify amino acid residues from autodock vina result ?
written by ruhshan.ahmed •
