The Molecular Graphics Laboratory Forum

Hello,
I'm a grad student at UC-Irvine and I've been having a descent amount of issues with autodock4. here's what it is, It seems like the program is generating an insufficient amount of .map files (only 2: .maps.fld and .maps.xyz) and no atom specific .map files... This happens even when I attempt to set up a docking following the tutorial with there .pdb files. In spite of the paucity of .MAP files, ADT allows me to write the .GLG and .DLG files. When I go to analyze the .DLG file I get the following:
IDLE 1.2.1 ==== No Subprocess ====
>>> exception in _buildInputLig
ERROR *********************************************
Traceback (most recent call last):
File "/Library/MGLTools/1.5.4/MGLToolsPckgs/ViewerFramework/VF.py", line 735, in tryto
result = apply( command, args, kw )
File "/Library/MGLTools/1.5.4/MGLToolsPckgs/AutoDockTools/autoanalyzeCommands.py", line 2848, in doit d.readDlg(dlgFile)
File "/Library/MGLTools/1.5.4/MGLToolsPckgs/AutoDockTools/Docking.py", line 83, in readDlg
self.ch = ConformationHandler(self.ligMol,
AttributeError: Docking instance has no attribute 'ligMol'

NO CLUE WHAT TO DO........ any help anyone could lend would be extremmmmely appreciated. I'll buy you a beer if your in the area!

I'm having the same problem. I got this message today: "/cygdrive/c/autodock4-2-3/autodock4: I'm sorry; I can't find or open "1CET_rigid.OA.map""

The file 1CET_rigid.OA.map was NOT created when I ran AutoGrid.

Check the ligand_types line in the gpf file you used for AutoGrid:
--Does it include OA?
eg:
ligand_types A C HD N NA OA # ligand atom types
--Is there a line in the gpf specifying an OA map?
eg:
map hsg1.OA.map # atom-specific affinity map
======================================================
Does your ligand have any oxygen atoms?
If not, are you including flexible residues in your docking?

When your docking is to include flexible residues, in ADT you must use:
Grid->Set Map Types-> Choose FlexRes...
OR
Grid->Set Map Types-> Open FlexRes...

to create a gpf to produce the necessary map files.

But it is asking for RIGID residues, not flexible.

even i have been facing the same problem. the same messages keep showing up for me too.
and also when i run autodock tools on anther system, everything runs perfectly till autogrid where successful completion is shown but autodock shows the following error
autodock4: can't create log file .dlg
autodock4:unsuccessful completion

I also got the same error message when I ran this program in window 7. So I tryed to this program in cmd which recomanded by others. But I failed again. Could you tell me how to fix this problem?

If I use it online, my files work.

Could you tell me where I can use the autodock program in online?

And, I have been facing the running problem of autodock which is same to others.
When i run autodock tools in the window 7, everything runs perfectly till autogrid where successful completion is shown but autodock shows the following error
autodock4: can't create log file .dlg
autodock4:unsuccessful completion

And I found that there was no grid parameter map files in my folder even though Autogrid was succsfully finished. I think that it may cause to fail to run the autodock.
Could you tell me how to fix this problem?

I believe it's at dockingserver.com? You can run the program for free, but you have to pay to get the results.