i need solution for " no secondary structure set for chain: A ! " ERROR in MGL auto docking tool.
I exactly have the following error when i click on display ribbon structure button. My notebook uses windows 10.
Python 2.7.2 (default, Jun 12 2011, 15:08:59) [MSC v.1500 32 bit (Intel)] on win32
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==== No Subprocess ====
>>> {'gui': None, 'cmd': <Pmv.selectionCommands.MVSelectCommand instance at 0x05A0FD78>, 'name': 'select'}
{'gui': None, 'cmd': <Pmv.selectionCommands.MVDeSelectCommand instance at 0x05A34120>, 'name': 'deselect'}
{'gui': <ViewerFramework.VFCommand.CommandGUI instance at 0x05A0FA30>, 'cmd': <Pmv.selectionCommands.MVClearSelection instance at 0x05A34260>, 'name': 'clearSelection'}
{'gui': None, 'cmd': <Pmv.selectionCommands.MVExpandSelection instance at 0x05A343A0>, 'name': 'expandSelection'}
{'gui': None, 'cmd': <Pmv.selectionCommands.MVSelectAround instance at 0x05A34490>, 'name': 'selectAround'}
{'gui': <ViewerFramework.VFCommand.CommandGUI instance at 0x05A0FA80>, 'cmd': <Pmv.selectionCommands.MVSaveSetCommand instance at 0x05A345A8>, 'name': 'saveSet'}
{'gui': None, 'cmd': <Pmv.selectionCommands.MVCreateSetIfNeeded instance at 0x05A34698>, 'name': 'createSetIfNeeded'}
{'gui': <ViewerFramework.VFCommand.CommandGUI instance at 0x05A0FCB0>, 'cmd': <Pmv.selectionCommands.MVInvertSelection instance at 0x05A347B0>, 'name': 'invertSelection'}
{'gui': <ViewerFramework.VFCommand.CommandGUI instance at 0x05A0FB20>, 'cmd': <Pmv.selectionCommands.MVSelectSetCommand instance at 0x05A348F0>, 'name': 'selectSet'}
{'gui': <ViewerFramework.VFCommand.CommandGUI instance at 0x05A0FB70>, 'cmd': <Pmv.selectionCommands.MVSelectFromStringCommand instance at 0x05A349E0>, 'name': 'selectFromString'}
{'gui': <ViewerFramework.VFCommand.CommandGUI instance at 0x05A0FBC0>, 'cmd': <Pmv.selectionCommands.MVDirectSelectCommand instance at 0x05A34B98>, 'name': 'directSelect'}
{'gui': <ViewerFramework.VFCommand.CommandGUI instance at 0x05A0FC10>, 'cmd': <Pmv.selectionCommands.MVSelectSphericalRegion instance at 0x05A34CD8>, 'name': 'selectInSphere'}
{'gui': <ViewerFramework.VFCommand.CommandGUI instance at 0x05A0FD28>, 'cmd': <Pmv.selectionCommands.SelectNoWaterHeteroAtomsCommand instance at 0x05A34DC8>, 'name': 'selectHeteroAtoms'}
ERROR *********************************************
Traceback (most recent call last):
File "C:\autodock\MGLTools\lib\site-packages\ViewerFramework\VF.py", line 941, in tryto
result = command( *args, **kw )
File "C:\autodock\MGLTools\lib\site-packages\Pmv\secondaryStructureCommands.py", line 211, in doit
mol.secondaryStructureFromFile()
File "C:\autodock\MGLTools\lib\site-packages\MolKit\protein.py", line 1199, in secondaryStructureFromFile
ssBuilder = GetSecondaryStructureFromFile(self)
File "C:\autodock\MGLTools\lib\site-packages\MolKit\getsecondarystructure.py", line 334, in __init__
self.ssDataForMol = mol.parser.parseSSData(mol)
File "C:\autodock\MGLTools\lib\site-packages\MolKit\pdbParser.py", line 1122, in parseSSData
self.parse_PDB_Strand(sRecords)
File "C:\autodock\MGLTools\lib\site-packages\MolKit\pdbParser.py", line 1025, in parse_PDB_Strand
line[49],
IndexError: string index out of range
ERROR *********************************************
Traceback (most recent call last):
File "C:\autodock\MGLTools\lib\site-packages\ViewerFramework\VF.py", line 941, in tryto
result = command( *args, **kw )
File "C:\autodock\MGLTools\lib\site-packages\Pmv\secondaryStructureCommands.py", line 211, in doit
mol.secondaryStructureFromFile()
File "C:\autodock\MGLTools\lib\site-packages\MolKit\protein.py", line 1199, in secondaryStructureFromFile
ssBuilder = GetSecondaryStructureFromFile(self)
File "C:\autodock\MGLTools\lib\site-packages\MolKit\getsecondarystructure.py", line 334, in __init__
self.ssDataForMol = mol.parser.parseSSData(mol)
File "C:\autodock\MGLTools\lib\site-packages\MolKit\pdbParser.py", line 1122, in parseSSData
self.parse_PDB_Strand(sRecords)
File "C:\autodock\MGLTools\lib\site-packages\MolKit\pdbParser.py", line 1025, in parse_PDB_Strand
line[49],
IndexError: string index out of range
no secondary structure set for chain: A !
ERROR *********************************************
Traceback (most recent call last):
File "C:\autodock\MGLTools\lib\site-packages\ViewerFramework\VF.py", line 941, in tryto
result = command( *args, **kw )
File "C:\autodock\MGLTools\lib\site-packages\Pmv\secondaryStructureCommands.py", line 211, in doit
mol.secondaryStructureFromFile()
File "C:\autodock\MGLTools\lib\site-packages\MolKit\protein.py", line 1199, in secondaryStructureFromFile
ssBuilder = GetSecondaryStructureFromFile(self)
File "C:\autodock\MGLTools\lib\site-packages\MolKit\getsecondarystructure.py", line 334, in __init__
self.ssDataForMol = mol.parser.parseSSData(mol)
File "C:\autodock\MGLTools\lib\site-packages\MolKit\pdbParser.py", line 1122, in parseSSData
self.parse_PDB_Strand(sRecords)
File "C:\autodock\MGLTools\lib\site-packages\MolKit\pdbParser.py", line 1025, in parse_PDB_Strand
line[49],
IndexError: string index out of range
ERROR *********************************************
Traceback (most recent call last):
File "C:\autodock\MGLTools\lib\site-packages\ViewerFramework\VF.py", line 941, in tryto
result = command( *args, **kw )
File "C:\autodock\MGLTools\lib\site-packages\Pmv\secondaryStructureCommands.py", line 211, in doit
mol.secondaryStructureFromFile()
File "C:\autodock\MGLTools\lib\site-packages\MolKit\protein.py", line 1199, in secondaryStructureFromFile
ssBuilder = GetSecondaryStructureFromFile(self)
File "C:\autodock\MGLTools\lib\site-packages\MolKit\getsecondarystructure.py", line 334, in __init__
self.ssDataForMol = mol.parser.parseSSData(mol)
File "C:\autodock\MGLTools\lib\site-packages\MolKit\pdbParser.py", line 1122, in parseSSData
self.parse_PDB_Strand(sRecords)
File "C:\autodock\MGLTools\lib\site-packages\MolKit\pdbParser.py", line 1025, in parse_PDB_Strand
line[49],
IndexError: string index out of range
no secondary structure set for chain: A !
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