I'm trying to use autodock vina, and I received the following error for the ligand file when running the configuration:
"Parse error on line 26 in file "15.pdbqt": Unknown or inappropriate tag"
Line 26 for this file is:
HETATM 17 N 1 0.010 -2.154 -1.841 0.00 0.00 0.083 N
I created the pdbqt file using pymol molecular viewer (PMV) by importing the ligand pdb file, deleting hydrogens, and saving as a pdbqt. The configuration textfile does list 15 as the proper ligand and outgoing ligand. The target protein is a separate .pdbqt file, and this method worked for thirty other ligands that I have successfully docked with autodock vina. I even tried recreating a new file to no avail. What's going on?
Hi Williams,
You may change the HETATM record to ATOM.
Or insert ligand name like UNL between "N" and "1"
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