MGLTools questions & answers

View and analyze structural molecular data
M
Question by Mike
240 views
February 10, 2023

Hello,
I am a post-graduate student and I tried to install MGL tools so as to use the Autodock.
However, there is the same problem with kyungmoon Lee (Above).
I tried to install a new version of Python, I tried to uninstall and re-install the MGL tools from scratch. Unfortunately, anything works.
Can you please help me to solve that problem?

Usha Kumari
Answer by Usha Kumari

It is recommended that the user seek help from MGLTools technical support or forums for assistance with their installation issue.

K
Question by kyungmoon Lee
639 views
September 28, 2022

Hello, I am an undergraduate studying molecular modeling.
I tried to install and use mgl tools and autodock vina, but when I deleted and reinstalled the program in the middle, the pdb and pdbqt files did not open.
The following errors continue to occur, how do I resolve them?


ERROR ***
Traceback (most recent call last):
File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\ViewerFramework\VF.py", line 941, in tryto
result = command( *args,
kw )
File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\Pmv\fileCommands.py", line 1192, in doit
newparser = PdbqtParser(filename, modelsAs=modelsAs)
File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\MolKit\pdbParser.py", line 1882, in init
PdbqParser.init(self, filename, allLines, modelsAs=modelsAs)
File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\MolKit\pdbParser.py", line 105, in init
MoleculeParser.init(self, filename, allLines)
File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\MolKit\moleculeParser.py", line 36, in init
self.filename = str(filename)
UnicodeEncodeError: 'ascii' codec can't encode characters in position 26-30: ordinal not in range(128)
Exception in Tkinter callback
Traceback (most recent call last):
File "C:\Program Files (x86)\MGLTools-1.5.7\lib\lib-tk\Tkinter.py", line 1410, in call
return self.func(*args)
File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\Pmv\fileCommands.py", line 614, in guiCallback
mols.data.extend(mol.data)
AttributeError: 'str' object has no attribute 'data'

A
Answer by Akash Shah

The question is related to a software program called MGLTools and the errors that are occurring when trying to install and use it. The issue can be resolved by making sure the program is installed correctly and all the necessary files are present.

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