Hi,
I am trying to use Malonyl-CoA (based on chemspider id 10213 and converted to pdb by pymol) as ligand for a docking run (following this tutorial
http://vina.scripps.edu/tutorial.html). If I click on "ligand" => "torsion tree" => "choose torsion" I get the following error:
Code:
Python 2.5.2 (r252:60911, Feb 21 2008, 13:11:45) [MSC v.1310 32 bit (Intel)] on win32
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IDLE 1.2.2 ==== No Subprocess ====
>>> adding gasteiger charges to receptor_1t1u_1_A_r161_764
Sorry, there are no Gasteiger parameters available for atom Malonyl_CoA_chemspider_10213: :UNK:O
Sorry, there are no Gasteiger parameters available for atom Malonyl_CoA_chemspider_10213: :UNK:O
Sorry, there are no Gasteiger parameters available for atom Malonyl_CoA_chemspider_10213: :UNK:O
Sorry, there are no Gasteiger parameters available for atom Malonyl_CoA_chemspider_10213: :UNK:O
no secondary structure set for chain: !
no secondary structure set for chain: !
no secondary structure set for chain: !
no secondary structure set for chain: !
no secondary structure set for chain: !
no secondary structure set for chain: !
no secondary structure set for chain: !
no secondary structure set for chain: !
Exception in Tkinter callback
Traceback (most recent call last):
File "C:\Program Files (x86)\MGLTools-1.5.6\lib\lib-tk\Tkinter.py", line 1403, in __call__
return self.func(*args)
File "C:\Program Files (x86)\MGLTools-1.5.6\lib\site-packages\mglutil\util\callback.py", line 86, in __call__
return apply(self.function, args, kw)
File "C:\Program Files (x86)\MGLTools-1.5.6\lib\site-packages\Pmv\dashboard.py", line 1953, in handleRadioButtons
self.menu.delete('All')
File "C:\Program Files (x86)\MGLTools-1.5.6\lib\lib-tk\Tkinter.py", line 2662, in delete
self.tk.call(self._w, 'delete', index1, index2)
TclError: bad menu entry index "All"
no secondary structure set for chain: !
no secondary structure set for chain: !
any ideas?
Thanks!