ADL: error

shruthi shruthi at research.iiit.ac.in
Mon Aug 27 03:27:24 PDT 2007


Hi all...
When i load my ligand in ADT iam getting the following error.Can anyone
tell me what does it mean because i do not know python..
any help is of great use to me...


Python 2.4.2 (#67, Sep 28 2005, 12:41:11) [MSC v.1310 32 bit (Intel)] on
win32
Type "copyright", "credits" or "license()" for more information.

    ****************************************************************
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    makes to its subprocess using this computer's internal loopback
    interface.  This connection is not visible on any external
    interface and no data is sent to or received from the Internet.
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IDLE 1.1.2      ==== No Subprocess ====
>>> skipping the isocontour-dependent commands
ERROR *********************************************
Traceback (most recent call last):
  File "D:\Python24\lib\site-packages\ViewerFramework\VF.py", line 677, in
tryto
    result = apply( command, args, kw )
  File "D:\Python24\lib\site-packages\AutoDockTools\autotorsCommands.py",
line 493, in doit
    initLPO(mol, cleanup=cleanup)
  File "D:\Python24\lib\site-packages\AutoDockTools\autotorsCommands.py",
line 253, in initLPO
    cleanup=cleanup)
  File
"D:\Python24\lib\site-packages\AutoDockTools\MoleculePreparation.py",
line 594, in __init__
    debug=debug, version=version)
  File
"D:\Python24\lib\site-packages\AutoDockTools\MoleculePreparation.py",
line 127, in __init__
    self.addCharges(mol, charges_to_add)
  File
"D:\Python24\lib\site-packages\AutoDockTools\MoleculePreparation.py",
line 216, in addCharges
    chargeCalculator.addCharges(mol.allAtoms)
  File "D:\Python24\lib\site-packages\MolKit\chargeCalculator.py", line
80, in addCharges
    babel.assignHybridization(atoms)
  File "D:\Python24\lib\site-packages\PyBabel\atomTypes.py", line 136, in
assignHybridization
    self.valence_two()
  File "D:\Python24\lib\site-packages\PyBabel\atomTypes.py", line 262, in
valence_two
    angle1 = bond_angle(k.coords, a.coords, l.coords)
  File "D:\Python24\lib\site-packages\PyBabel\util.py", line 46, in
bond_angle
    cos_theta = ( (a[0] - b[0]) * (c[0] - b[0]) +
ZeroDivisionError: float division
ERROR *********************************************
Traceback (most recent call last):
  File "D:\Python24\lib\site-packages\ViewerFramework\VF.py", line 677, in
tryto
    result = apply( command, args, kw )
  File "D:\Python24\lib\site-packages\AutoDockTools\autotorsCommands.py",
line 493, in doit
    initLPO(mol, cleanup=cleanup)
  File "D:\Python24\lib\site-packages\AutoDockTools\autotorsCommands.py",
line 253, in initLPO
    cleanup=cleanup)
  File
"D:\Python24\lib\site-packages\AutoDockTools\MoleculePreparation.py",
line 594, in __init__
    debug=debug, version=version)
  File
"D:\Python24\lib\site-packages\AutoDockTools\MoleculePreparation.py",
line 127, in __init__
    self.addCharges(mol, charges_to_add)
  File
"D:\Python24\lib\site-packages\AutoDockTools\MoleculePreparation.py",
line 216, in addCharges
    chargeCalculator.addCharges(mol.allAtoms)
  File "D:\Python24\lib\site-packages\MolKit\chargeCalculator.py", line
80, in addCharges
    babel.assignHybridization(atoms)
  File "D:\Python24\lib\site-packages\PyBabel\atomTypes.py", line 136, in
assignHybridization
    self.valence_two()
  File "D:\Python24\lib\site-packages\PyBabel\atomTypes.py", line 262, in
valence_two
    angle1 = bond_angle(k.coords, a.coords, l.coords)
  File "D:\Python24\lib\site-packages\PyBabel\util.py", line 46, in
bond_angle
    cos_theta = ( (a[0] - b[0]) * (c[0] - b[0]) +
ZeroDivisionError: float division








-- 
SHRUTHI.N
MS by Research
CCNSB
IIIT-H




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