Hello!
I am studying the receptor-ligand interactions of the docking results I’ve generated using AutoDock Vina. I attempted to open 2 file types of my receptor-ligand complex and noticed that the 2D diagrams vary between the 2 file types. In my first attempt, I opened the PDBQT file of my protein, and then I opened the PDBQT file of my ligand in the same tab before I finally viewed their interactions and generated the 2D diagram of it. In my second attempt, I opened the PDB file of the receptor-ligand complex that I’ve generated through PyMOL, and then did the same succeeding procedures. When I compared the 2D diagrams of the two, they were not the same. Could you help me?
- Is it okay to open PDBQT files in Discovery Studio? Can the program read this type of file without any errors?
- Did I perhaps make a mistake in the definition of the receptor and the ligand for the receptor-ligand complex PDB file? If so, could you help me out on this?