IDLE 1.2.2 ==== No Subprocess ====
>>> UNL1 not in qkollua; charges set to 0.0
ERROR *********************************************
Traceback (most recent call last):
File "C:\Program Files (x86)\The Scripps Research Institute\Autodock\lib\site-packages\ViewerFramework\VF.py", line 898, in tryto
result = command( *args, **kw )
File "C:\Program Files (x86)\The Scripps Research Institute\Autodock\lib\site-packages\Pmv\editCommands.py", line 1027, in doit
babel.assignHybridization(mol.allAtoms)
File "C:\Program Files (x86)\The Scripps Research Institute\Autodock\lib\site-packages\PyBabel\atomTypes.py", line 127, in assignHybridization
a.babel_atomic_number = self.get_atomic_number(a.babel_type)
File "C:\Program Files (x86)\The Scripps Research Institute\Autodock\lib\site-packages\PyBabel\atomTypes.py", line 103, in get_atomic_number
(name,_name) )
ValueError: Could not find atomic number for A A
Dear Dhayananth Natarajan
These links might help, have a look:
1. https://www.researchgate.net/post/How_to_avoid_this_Autodock_Error
2. https://www.biostars.org/p/402276/
Kind Regards
Qamar Ul Islam
- Badges
- Science topic
- Similar topics
- Filing