The Molecular Graphics Laboratory Forum

Hi,

I hope someone can help:

I can open ADT with no errors. However, when I try to input a ligand, I get the
following error:



>>> adding gasteiger charges to peptide

ERROR *********************************************

Traceback (most recent call last):

File "/home/coulton/MGLTools-1.4.6/MGLToolsPckgs/ViewerFramework/VF.py",
line 714, in tryto

result = apply( command, args, kw )

File
"/home/coulton/MGLTools-1.4.6/MGLToolsPckgs/AutoDockTools/autotorsCommands.p
y", line 754, in doit

initLPO4(mol, cleanup=cleanup)

File
"/home/coulton/MGLTools-1.4.6/MGLToolsPckgs/AutoDockTools/autotorsCommands.p
y", line 286, in initLPO4

root=root, outputfilename=outputfilename, cleanup=cleanup)

File
"/home/coulton/MGLTools-1.4.6/MGLToolsPckgs/AutoDockTools/MoleculePreparatio
n.py", line 920, in __init__

limit_torsions=limit_torsions)

File
"/home/coulton/MGLTools-1.4.6/MGLToolsPckgs/AutoDockTools/MoleculePreparatio
n.py", line 676, in __init__

delete_single_nonstd_residues=False)

File
"/home/coulton/MGLTools-1.4.6/MGLToolsPckgs/AutoDockTools/MoleculePreparatio
n.py", line 128, in __init__

self.addCharges(mol, charges_to_add)

File
"/home/coulton/MGLTools-1.4.6/MGLToolsPckgs/AutoDockTools/MoleculePreparatio
n.py", line 216, in addCharges

chargeCalculator.addCharges(mol.allAtoms)

File
"/home/coulton/MGLTools-1.4.6/MGLToolsPckgs/MolKit/chargeCalculator.py",
line 80, in addCharges

babel.assignHybridization(atoms)

File "/home/coulton/MGLTools-1.4.6/MGLToolsPckgs/PyBabel/atomTypes.py",
line 136, in assignHybridization

self.valence_two()

File "/home/coulton/MGLTools-1.4.6/MGLToolsPckgs/PyBabel/atomTypes.py",
line 262, in valence_two

angle1 = bond_angle(k.coords, a.coords, l.coords)

File "/home/coulton/MGLTools-1.4.6/MGLToolsPckgs/PyBabel/util.py", line
46, in bond_angle

cos_theta = ( (a[0] - b[0]) * (c[0] - b[0]) +

ZeroDivisionError: float division

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