The Molecular Graphics Laboratory Forum

AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
It is currently Sat Sep 22, 2018 1:24 am

All times are UTC

Post new topic Reply to topic  [ 1 post ] 
Author Message
PostPosted: Thu Jun 04, 2015 1:58 pm 
Millimolar User
Millimolar User
User avatar

Joined: Thu Jun 04, 2015 2:41 am
Posts: 3
Could someone tell me what this error message indicates? i.e. how can i fix the pdb files so that raccoonn will convert them successfully to pdbqt? Thanks

Error: 1
<type 'exceptions.ValueError'> Exception in Tk callback
Function: <function openReceptorDir at 0x0466F9B0> (type: <type 'function'>)
Args: ()
Traceback (innermost last):
File "C:\Program Files (x86)\MGLTools-1.5.6\lib\site-packages\Pmw\Pmw_1_3\lib\", line 1747, in __call__
return apply(self.func, args)
File "", line 2284, in openReceptorDir
genPDBQTrec(file, output_file)
File "", line 2435, in genPDBQTrec
File "C:\Program Files (x86)\MGLTools-1.5.6\AutoDockTools\", line 560, in __init__
version=version, delete_single_nonstd_residues=delete_single_nonstd_residues)
File "C:\Program Files (x86)\MGLTools-1.5.6\AutoDockTools\", line 143, in __init__
self.addCharges(mol, charges_to_add)
File "C:\Program Files (x86)\MGLTools-1.5.6\AutoDockTools\", line 229, in addCharges
File "C:\Program Files (x86)\MGLTools-1.5.6\MolKit\", line 80, in addCharges
File "C:\Program Files (x86)\MGLTools-1.5.6\Lib\site-packages\Updates\nightly_2013_08_30\PyBabel\", line 136, in assignHybridization
File "C:\Program Files (x86)\MGLTools-1.5.6\Lib\site-packages\Updates\nightly_2013_08_30\PyBabel\", line 230, in valence_three
angle2 = bond_angle(k.coords, a.coords, m.coords)
File "C:\Program Files (x86)\MGLTools-1.5.6\Lib\site-packages\Updates\nightly_2013_08_30\PyBabel\", line 53, in bond_angle
else: angle = (math.acos(cos_theta)) * RAD_TO_DEG
<type 'exceptions.ValueError'>: math domain error

Display posts from previous:  Sort by  
Post new topic Reply to topic  [ 1 post ] 

All times are UTC

Who is online

Users browsing this forum: No registered users and 2 guests

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum

Search for:
Jump to:  
Translated by MaĆ«l Soucaze © 2009