ADL: AutoDockTools Vina Conformations Error

Nancy nancy5villa at gmail.com
Fri Oct 16 18:27:38 PDT 2009


Hello,

I am trying to save an AutoDock Vina result (.pdbqt file format) together
with a protein structure in one .pdb file.

As I read on the mailing list, I tried to use AutoDockTools to do so by
first opening the protein structure (File -> Read Molecule), opening the
Vina result (Analyze -> Dockings -> Open AutoDock vina result... -> Single
molecule with multiple conformations), and then clicking on "Analyze ->
Conformations -> Play...".  However, I receive an error message (below) when
trying to do so.

Please advise.

Thanks,

Nancy

=================================================================
Python 2.5.1 (r251:54863, Sep 21 2007, 11:20:07)
[GCC 3.2.3 20030502 (Red Hat Linux 3.2.3-56)] on linux2
Type "copyright", "credits" or "license()" for more information.

    ****************************************************************
    Personal firewall software may warn about the connection IDLE
    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.
    ****************************************************************

IDLE 1.2.1      ==== No Subprocess ====
>>> over-all best vina_energy= -7.6
2  vina_energy= -7.1
3  vina_energy= -7.0
ERROR *********************************************
Traceback (most recent call last):
  File
"/usr/local/MGLTools-1.5.6/MGLToolsPckgs/Updates/nightly_2009_10_12/ViewerFramework/VF.py",
line 788, in tryto
    result = apply( command, args, kw )
  File
"/usr/local/MGLTools-1.5.6/MGLToolsPckgs/Updates/nightly_2009_10_12/AutoDockTools/autoanalyzeCommands.py",
line 5432, in doit
    mol.name, docking.ch.conformations, form2=1,
AttributeError: Protein instance has no attribute 'ch'
=================================================================


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