I have tried to run Autodock by following youtube video ( https://www.youtube.com/watch?v=llaVCIfH0sA ) but when I run AutoDock the error message comes. I have pasted the error message below please help me to fix this.
............................................................................................................................................
Python 2.5.2 (r252:60911, Feb 21 2008, 13:11:45) [MSC v.1310 32 bit (Intel)] on win32
Type "copyright", "credits" or "license()" for more information.
****************************************************************
Personal firewall software may warn about the connection IDLE
makes to its subprocess using this computer's internal loopback
interface. This connection is not visible on any external
interface and no data is sent to or received from the Internet.
****************************************************************
IDLE 1.2.2 ==== No Subprocess ====
>>> adding gasteiger charges to 3ec5
3ec5 already has gasteiger charges
3ec5 already has gasteiger charges
ERROR *********************************************
Traceback (most recent call last):
File "C:\Program Files\MGLTools-1.5.6\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto
result = command( *args, **kw )
File "C:\Program Files\MGLTools-1.5.6\lib\site-packages\AutoDockTools\autostartCommands.py", line 964, in doit
ps = subprocess.Popen(args)
File "C:\Program Files\MGLTools-1.5.6\lib\subprocess.py", line 594, in __init__
errread, errwrite)
File "C:\Program Files\MGLTools-1.5.6\lib\subprocess.py", line 816, in _execute_child
startupinfo)
WindowsError: [Error 740] The requested operation requires elevation
Try using python scripts for creating pdbqt files this will lead to minimized errors.
Hello Susantha K Ganegamage
From the error you provided, I believe it may be due to how you installed AutoDock and AutoDockTools on Windows.
However, to clarify, can you please give us more information particularly on at which step/procedure did you encounter this error.
Hi Farrah Wahidah Ridzwan,
Thank you so much Farrah for answering my question. I encountered this problem when I run Autodock. I ran AutoGrid, I think it was ok, But when I run Autodock. A new window called " *Python Shell* appeared and it showed the above error message I posted on the above.
Hi Susantha K Ganegamage
I'd suggest checking whether the AutoGrid process was successfully completed first.
The log file generated should mention the process flow and different types of map files should be generated if the process was successful.
In my limited experience, if you are able to successfully conduct AutoGrid, you usually would not encounter any issues during docking.
This massage is coming when I run autogrid?
Running: C:\ADTworkspace\adt_job.bat
CALCULATION TYPE: AutoGrid
WORKING PATH : "C:\ADTworkspace"
PARAMETER FILE : "C:\ADTworkspace\lignn-261.gpf"
LOG FILE : "C:\ADTworkspace\lignn-261.glg"
[ ... running ...]
'C:\Program' is not recognized as an internal or external command,
operable program or batch file.
When you are installing AutoDock, do you remember which path or folder you installed it on?
My suggestion is to move the autodock4.exe and autogrid4.exe directly on your C drive.
The path will look something like this "C:\AutoDock\autogrid4.exe"
Please make sure there is no space in any of the folders or paths name
Try using python scripts for creating pdbqt files this will lead to minimized errors.
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