error trying to make macromolecule

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error trying to make macromolecule

Postby elsilva » Tue Mar 05, 2013 5:18 pm

I receive the following error message when I try to make a macromolecule. Any help is appreciated!

Traceback (most recent call last):
File "/Users/krchauvin/.mgltools/PyRx/update/PyRx/", line 136, in OnMakeMacromolecule
mol = self.frame.autodockNav.AddMacromolecule(mol)
File "/Users/krchauvin/.mgltools/PyRx/update/PyRx/", line 66, in AddMacromolecule
mol = self.SelectAlternate(mol)
File "/Users/krchauvin/.mgltools/PyRx/update/PyRx/", line 150, in SelectAlternate
File "/Users/krchauvin/.mgltools/PyRx/update/PyRx/", line 358, in PrepareReceptorMol
RPO = AD4ReceptorPreparation(mol, outputfilename=outputfilename)
File "/Library/MGLTools/PyRx/Python.framework/Versions/2.6/lib/python2.6/site-packages/AutoDockTools/", line 546, in __init__
version=version, delete_single_nonstd_residues=delete_single_nonstd_residues)
File "/Library/MGLTools/PyRx/Python.framework/Versions/2.6/lib/python2.6/site-packages/AutoDockTools/", line 146, in __init__
self.cleanUpAtomTypes(mol, self.cleanup_type_list)
File "/Library/MGLTools/PyRx/Python.framework/Versions/2.6/lib/python2.6/site-packages/AutoDockTools/", line 235, in cleanUpAtomTypes
lenNPHS = self.lenNPHS = NPHM.mergeNPHS(mol.allAtoms)
File "/Library/MGLTools/PyRx/Python.framework/Versions/2.6/lib/python2.6/site-packages/AutoDockTools/", line 119, in mergeNPHS
assert lenAts==len(t.allAtoms)
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