The Molecular Graphics Laboratory Forum

Dear all,
i prepared the ligand and protein using tools available in ADT, after preparing the *.pdbqt file for ligand and protein, and setting the map types, i got a problem
grid>set map types> choose ligand
The python errors are coming out.

Traceback (most recent call last):
File "C:\Program Files\MGLTools 1.5.4\MGLToolsPckgs\ViewerFramework\VF.py", line 735, in tryto
result = apply( command, args, kw )
File "C:\Program Files\MGLTools 1.5.4\MGLToolsPckgs\Pmv\editCommands.py", line 3490, in doit
chs = Numeric.sum(item.atoms.charge)
File "C:\Program Files\MGLTools 1.5.4\MGLToolsPckgs\MolKit\molecule.py", line 116, in __getattr__
res.append(a._charges[a.chargeSet])
KeyError: None
ERROR *********************************************
Traceback (most recent call last):
File "C:\Program Files\MGLTools 1.5.4\MGLToolsPckgs\ViewerFramework\VF.py", line 735, in tryto
result = apply( command, args, kw )
File "C:\Program Files\MGLTools 1.5.4\MGLToolsPckgs\AutoDockTools\autogpfCommands.py", line 4336, in doit
errCharge, resList = checkMolCharges(lig, self.vf)
File "C:\Program Files\MGLTools 1.5.4\MGLToolsPckgs\AutoDockTools\autotorsCommands.py", line 199, in checkMolCharges
totalCharge,resList = vf.checkResCharges(mol, topCommand=0)
ValueError: too many values to unpack


I am using the MGLTools 1.5.4 version posted on mgltools website and python version 2.5.2
I have also tried with 2.5 and 2.5.4 version the same errors are coming out.

help needed.

with regards,

ratnesh