2022-06-08 08:45:09,851 : [DEBUG] : dockit : dockit :: Reading dockit_param.csv
2022-06-08 08:45:09,863 : [INFO] : dockit : dockit :: Creating ligands directory
2022-06-08 08:45:09,874 : [INFO] : dockit : dockit :: Creating targets directory
2022-06-08 08:45:09,875 : [INFO] : dockit : dockit :: Checking for PDB files in targets and ligands folders
2022-06-08 08:45:09,914 : [INFO] : dockit : dockit :: Checking input files are in PDB format
2022-06-08 08:45:10,057 : [DEBUG] : dockit : dockit_vina :: Creating ligand PDBQT dir
2022-06-08 08:45:10,057 : [INFO] : dockit : dockit_vina :: Converting ligands to PDBQT
File "/home/edwin/dockit/app/prepare_ligand4.py", line 22
print "Usage: prepare_ligand4.py -l filename"
^
SyntaxError: Missing parentheses in call to 'print'. Did you mean print("Usage: prepare_ligand4.py -l filename")?
File "/home/edwin/dockit/app/prepare_ligand4.py", line 22
print "Usage: prepare_ligand4.py -l filename"
^
SyntaxError: Missing parentheses in call to 'print'. Did you mean print("Usage: prepare_ligand4.py -l filename")?
File "/home/edwin/dockit/app/prepare_ligand4.py", line 22
print "Usage: prepare_ligand4.py -l filename"
^
SyntaxError: Missing parentheses in call to 'print'. Did you mean print("Usage: prepare_ligand4.py -l filename")?
File "/home/edwin/dockit/app/prepare_ligand4.py", line 22
print "Usage: prepare_ligand4.py -l filename"
^
SyntaxError: Missing parentheses in call to 'print'. Did you mean print("Usage: prepare_ligand4.py -l filename")?
File "/home/edwin/dockit/app/prepare_ligand4.py", line 22
print "Usage: prepare_ligand4.py -l filename"
^
SyntaxError: Missing parentheses in call to 'print'. Did you mean print("Usage: prepare_ligand4.py -l filename")?
File "/home/edwin/dockit/app/prepare_ligand4.py", line 22
print "Usage: prepare_ligand4.py -l filename"
^
SyntaxError: Missing parentheses in call to 'print'. Did you mean print("Usage: prepare_ligand4.py -l filename")?
File "/home/edwin/dockit/app/prepare_ligand4.py", line 22
print "Usage: prepare_ligand4.py -l filename"
^
SyntaxError: Missing parentheses in call to 'print'. Did you mean print("Usage: prepare_ligand4.py -l filename")?
File "/home/edwin/dockit/app/prepare_ligand4.py", line 22
print "Usage: prepare_ligand4.py -l filename"
^
SyntaxError: Missing parentheses in call to 'print'. Did you mean print("Usage: prepare_ligand4.py -l filename")?
File "/home/edwin/dockit/app/prepare_ligand4.py", line 22
print "Usage: prepare_ligand4.py -l filename"
^
SyntaxError: Missing parentheses in call to 'print'. Did you mean print("Usage: prepare_ligand4.py -l filename")?
2022-06-08 08:45:10,273 : [DEBUG] : dockit : dockit_vina :: Creating target PDBQT dir
2022-06-08 08:45:10,273 : [INFO] : dockit : dockit_vina :: Converting targets to PDBQT
File "/home/edwin/dockit/app/prepare_receptor4.py", line 22
print "Usage: prepare_receptor4.py -r filename"
^
SyntaxError: Missing parentheses in call to 'print'. Did you mean print("Usage: prepare_receptor4.py -r filename")?
File "/home/edwin/dockit/app/prepare_receptor4.py", line 22
print "Usage: prepare_receptor4.py -r filename"
^
SyntaxError: Missing parentheses in call to 'print'. Did you mean print("Usage: prepare_receptor4.py -r filename")?
File "/home/edwin/dockit/app/prepare_receptor4.py", line 22
print "Usage: prepare_receptor4.py -r filename"
^
SyntaxError: Missing parentheses in call to 'print'. Did you mean print("Usage: prepare_receptor4.py -r filename")?
File "/home/edwin/dockit/app/prepare_receptor4.py", line 22
print "Usage: prepare_receptor4.py -r filename"
^
SyntaxError: Missing parentheses in call to 'print'. Did you mean print("Usage: prepare_receptor4.py -r filename")?
2022-06-08 08:45:10,355 : [DEBUG] : dockit : dockit_vina :: Checking if targets in param file exist in targets dir
Traceback (most recent call last):
File "app/dockit.py", line 317, in
dockit(args.verbose, args.reset, args.minimize)
File "app/dockit.py", line 289, in dockit
dockit_vina(param_dict, root_dir, app_dir, ligands_dir, targets_dir, stdout)
File "app/dockit.py", line 157, in dockit_vina
if row['target'] not in [i.rstrip('.pdbqt') for i in os.listdir(targets_pdbqt_dir)]:
KeyError: 'target'