| dlliang |
2009-11-09 08:19 |
我在盒子里接入小分子的drug.pdb时出现这个错误 请问何解?
IDLE 1.2.4 ==== No Subprocess ====
>>> adding gasteiger charges to 1H9Z
ERROR *********************************************
Traceback (most recent call last):
File "C:\cygwin\home\mgl\releases\MGLToolsPckgs\ViewerFramework\VF.py", line 716, in tryto
File "C:\cygwin\home\mgl\releases\MGLToolsPckgs\Pmv\fileCommands.py", line 663, in doit
File "C:\cygwin\home\mgl\releases\MGLToolsPckgs\MolKit\pdbParser.py", line 571, in parse
File "C:\cygwin\home\mgl\releases\MGLToolsPckgs\MolKit\pdbParser.py", line 348, in parse_PDB_atoms
File "C:\cygwin\home\mgl\releases\MGLToolsPckgs\MolKit\pdbParser.py", line 425, in parse_PDB_ATOM_record
ValueError: invalid literal for float(): 198 -2.
ERROR *********************************************
Traceback (most recent call last):
File "C:\cygwin\home\mgl\releases\MGLToolsPckgs\ViewerFramework\VF.py", line 716, in tryto
File "C:\cygwin\home\mgl\releases\MGLToolsPckgs\AutoDockTools\autotorsCommands.py", line 972, in doit
AttributeError: 'str' object has no attribute 'allAtoms'
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