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autodocking tools

Open yahiamoualla opened this issue 6 months ago • 1 comments

Hello ! I am trying to run autodock vina, I have this txt file:

Define the receptor and ligand files

receptor = ab.pdbqt ligand = antigen.pdbqt

Output file for docking results

out= docking.pdbqt

Define the center of the search space

center_x = 35.739 center_y = 26.403 center_z = 12.114

Define the size of the search space (in Angstroms)

size_x = 30 size_y = 30 size_z = 30

Log file for Vina's output

log= log.txt

But I have this error: Error: could not open "antigen.pdbqt" for reading. Knowing that the pdbqt files I have it from amg autodock tool.

yahiamoualla avatar Aug 20 '24 14:08 yahiamoualla