Hello everybody,
I'm a beginner in ADT, and I want to use the software to predict the binding of a peptide and his dynamic approach with DNA. Unfortunately, after hours and hours, I have create my two pdb files add hydrogen, add charges. But when I want to Detect root or sometimes when I do Grid/macromolecules/choose I have an error :
ERROR ********************************************* Traceback (most recent call last): File "C:\Docking\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto result = command( *args, **kw ) File "C:\Docking\lib\site-packages\AutoDockTools\autotorsCommands.py", line 2389, in doit mol.LPO.autoroot() File "C:\Docking\lib\site-packages\AutoDockTools\MoleculePreparation.py", line 929, in autoroot self.RBM.autoroot() File "C:\Docking\lib\site-packages\AutoDockTools\MoleculePreparation.py", line 2139, in autoroot if not b.leaf: AttributeError: Bond instance has no attribute 'leaf' ERROR ********************************************* Traceback (most recent call last): File "C:\Docking\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto result = command( *args, **kw ) File "C:\Docking\lib\site-packages\Pmv\editCommands.py", line 3579, in doit chs = Numeric.sum(item.atoms.charge) File "C:\Docking\lib\site-packages\MolKit\molecule.py", line 136, in __getattr__ res.append(a._charges[a.chargeSet]) KeyError: None ERROR ********************************************* Traceback (most recent call last): File "C:\Docking\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto result = command( *args, **kw ) File "C:\Docking\lib\site-packages\AutoDockTools\autogpfCommands.py", line 4321, in doit errCharge, resList = self.vf.checkResCharges(residues) ValueError: too many values to unpack
I don't understand this error.
I have seen that it was a problem of directories and add it with the command prompt and the control pannel like in this video.
But it does'nt change anything.
PLEASE HELP Me !!!! I need to resolve rapidely this problem !!
THANKS A LOT..............
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