Tag: .PDBQT
docking – Is there any way to handle CONECT records in Autodock Vina?
I have a .pdb file that I modelled myself using Avogadro. Many atoms are CONECT records, so when I prepare the macromolecule in AutoDock Tools and export it as .pdbqt without the CONECT records (since AutoDock Vina can’t handle them), the new .pdbqt file always shows broken bonds. I’ve tried…
Alternative way to generate .PDBQT file for AutoDock Vina? : bioinformatics
For context: I’m using macOS Big Sur and have successfully run AutoDock Vina through my terminal, after which I’ll view the output in ChimeraX. Also, I’m an undergrad attempting to teach myself how to use docking software for a personal project and future use, so I may very well have…
