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 Post subject: autodock error
PostPosted: Sun Jan 08, 2017 7:56 pm 
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Joined: Sun Jan 08, 2017 7:49 pm
Posts: 1
i am getting the following response when launching autogrid.

plz help.

Python 2.5.6 (r256:88840, Nov 6 2012, 15:29:26)
[GCC 4.1.2 20061115 (prerelease) (Debian 4.1.1-21)] on linux2
Type "copyright", "credits" or "license()" for more information.

****************************************************************
Personal firewall software may warn about the connection IDLE
makes to its subprocess using this computer's internal loopback
interface. This connection is not visible on any external
interface and no data is sent to or received from the Internet.
****************************************************************

IDLE 1.2.6 ==== No Subprocess ====
>>> phosphatidylcholine already has gasteiger charges
ursolic acid minimized by MM2: :UNK0:C and ursolic acid minimized by MM2: :UNK0:C have the same coordinates
ERROR *********************************************
Traceback (most recent call last):
File "/home/sayan/MGLTools-1.5.6/MGLToolsPckgs/ViewerFramework/VF.py", line 898, in tryto
result = command( *args, **kw )
File "/home/sayan/MGLTools-1.5.6/MGLToolsPckgs/AutoDockTools/autotorsCommands.py", line 1008, in doit
initLPO4(mol, cleanup=cleanup)
File "/home/sayan/MGLTools-1.5.6/MGLToolsPckgs/AutoDockTools/autotorsCommands.py", line 292, in initLPO4
root=root, outputfilename=outputfilename, cleanup=cleanup)
File "/home/sayan/MGLTools-1.5.6/MGLToolsPckgs/AutoDockTools/MoleculePreparation.py", line 1019, in __init__
detect_bonds_between_cycles=detect_bonds_between_cycles)
File "/home/sayan/MGLTools-1.5.6/MGLToolsPckgs/AutoDockTools/MoleculePreparation.py", line 779, in __init__
detectAll=self.detect_bonds_between_cycles)
File "/home/sayan/MGLTools-1.5.6/MGLToolsPckgs/AutoDockTools/MoleculePreparation.py", line 1798, in __init__
self.__classifyBonds(molecule.allAtoms, allow_guanidinium_torsions)
File "/home/sayan/MGLTools-1.5.6/MGLToolsPckgs/AutoDockTools/MoleculePreparation.py", line 1836, in __classifyBonds
dict =self.dict = ADBC.classify(mol.allAtoms.bonds[0])
File "/home/sayan/MGLTools-1.5.6/MGLToolsPckgs/AutoDockTools/AutoDockBondClassifier.py", line 58, in classify
rotatables = self.d['rotatable'].select(bonds)
File "/home/sayan/MGLTools-1.5.6/MGLToolsPckgs/MolKit/bondSelector.py", line 535, in select
rotatable = BondOrderBondSelector().select(bnds,1)
File "/home/sayan/MGLTools-1.5.6/MGLToolsPckgs/MolKit/bondSelector.py", line 508, in select
atype.assignHybridization(allAts)
File "/home/sayan/MGLTools-1.5.6/MGLToolsPckgs/PyBabel/atomTypes.py", line 137, in assignHybridization
self.valence_two()
File "/home/sayan/MGLTools-1.5.6/MGLToolsPckgs/PyBabel/atomTypes.py", line 266, in valence_two
angle1 = bond_angle(k.coords, a.coords, l.coords)
File "/home/sayan/MGLTools-1.5.6/MGLToolsPckgs/PyBabel/util.py", line 47, in bond_angle
raise ZeroDivisionError("Input used:", a, b, c)
ZeroDivisionError: ('Input used:', [-5.3719999999999999, -1.482, 0.85099999999999998], [-5.3719999999999999, -1.482, 0.85099999999999998], [-5.3719999999999999, -1.482, 0.85099999999999998])
ERROR *********************************************
Traceback (most recent call last):
File "/home/sayan/MGLTools-1.5.6/MGLToolsPckgs/ViewerFramework/VF.py", line 898, in tryto
result = command( *args, **kw )
File "/home/sayan/MGLTools-1.5.6/MGLToolsPckgs/AutoDockTools/autostartCommands.py", line 964, in doit
ps = subprocess.Popen(args)
File "/home/sayan/MGLTools-1.5.6/lib/python2.5/subprocess.py", line 594, in __init__
errread, errwrite)
File "/home/sayan/MGLTools-1.5.6/lib/python2.5/subprocess.py", line 1097, in _execute_child
raise child_exception
OSError: [Errno 8] Exec format error


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