Post does not exist.
AutoDock Tools: problems with "choose torsion in currently selected residues"
0
0
Entering edit mode
2.1 years ago
Josefina • 0

Hello, I'm running AutoDock Tools on Windows 11. Whenever I want to choose torsion in currently selected residues, I get this mistakes. Someone has some idea or suggestion of what could be the problem? Thank you!

File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\ViewerFramework\VF.py", line 941, in tryto
    result = command( *args, **kw )
  File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\AutoDockTools\autoflexCommands.py", line 369, in doit
    map(self.setAutoFlexFields, flex_residues)
  File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\AutoDockTools\autoflexCommands.py", line 414, in setAutoFlexFields
    rotatables = rbs.select(bondlist)
  File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\MolKit\bondSelector.py", line 534, in select
    rotatable = BondOrderBondSelector().select(bnds,1)
  File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\MolKit\bondSelector.py", line 511, in select
    bo.assignBondOrder(allAts, allAts.bonds[0], rf)
  File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\PyBabel\bo.py", line 82, in assignBondOrder
    self.assign_bond_order2(atoms, bonds, rings)
  File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\PyBabel\bo.py", line 243, in assign_bond_order2
    self.connect_the_dots(0,0)
  File "C:\Program Files (x86)\MGLTools-1.5.7\lib\site-packages\PyBabel\bo.py", line 377, in connect_the_dots
    self.connect_the_dots(atom+1,0)
autodocktools docking • 1.1k views
ADD COMMENT
0
Entering edit mode

Hi, Have you solved this? I get the same error now.

ADD REPLY

Login before adding your answer.

Traffic: 3611 users visited in the last hour
Help About
FAQ
Access RSS
API
Stats

Use of this site constitutes acceptance of our User Agreement and Privacy Policy.

Powered by the version 2.3.6