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 Post subject: error on ADT
PostPosted: Fri Aug 29, 2014 8:03 am 
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Millimolar User
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Joined: Thu Aug 28, 2014 12:53 pm
Posts: 2
HI,
I'm a new user of ADT. I want to do docking between two biomolecules using ADT.
But, after having created my ligand with pymol, adding all the Hydrogen with ADT, When I want to detect the torsion tree I have the error :
WARNING: dependency check failed for command APBSVolumeRender
adding gasteiger charges to peptide
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom ligandvega: :TRP1:N
Unable to assign XYZ type to atom N
Unable to assign HYB type to atom N
Unable to assign HYB type to atom N
Unable to assign HYB type to atom N
Unable to assign HYB type to atom N
Unable to assign HYB type to atom N
Unable to assign XYZ type to atom N
Unable to assign HYB type to atom N
Unable to assign HYB type to atom N
Unable to assign HYB type to atom N
Unable to assign HYB type to atom N
Unable to assign HYB type to atom N
Unable to assign XYZ type to atom N
Unable to assign HYB type to atom N
Unable to assign HYB type to atom N
Unable to assign HYB type to atom N
Unable to assign HYB type to atom N
Unable to assign HYB type to atom N
Unable to assign HAD type to atom N
Unable to assign valence to atom ligandvega: :TRP1:N type = N
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'

I have no idea how to resolve this problem !!!
I have seen that it was a problem of directory. So I have desinstall ADT and reinstall in a different directory (C:\Docking)
-> no changing !!!!

If someone could help me !!!!
Please !!!

Thanks a lot....


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