ADL: ADT 1.4.6 error

Ruth Huey rhuey at scripps.edu
Mon Oct 29 07:18:51 PDT 2007


Hi Savani,
This problem was caused by a bug in MolKit/interactionDescriptor.py 
which occurred in the case where the ligand had no hydrogen bonding atoms.
I have just repaired the problem and checked the correction into cvs. 

Thank you  very much for your feedback and your patience!

         Ruth


Savani Anbalagan wrote:
> Hi autodockers...
>
> I am using ADT 1.4.6..
>
> my OS SUSE 10.0
>
> When i tried to analyze the rsults of docking by  option SHOW INTERACTION..
>
>
>
> Python 2.4.2 (#2, Jan  6 2006, 13:20:42)
> [GCC 3.2.3 20030422 (Red Hat Linux 3.2.3-6)] 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 1.1.2      ==== No Subprocess ====
>   
>>>> ERROR *********************************************
>>>>         
> Traceback (most recent call last):
>   File "/usr/local/MGLTOOLSS/MGLTools-1.4.6/MGLToolsPckgs/ViewerFramework/VF.py",
> line 714, in tryto
>     result = apply( command, args, kw )
>   File "/usr/local/MGLTOOLSS/MGLTools-1.4.6/MGLToolsPckgs/AutoDockTools/autoanalyzeCommands.py",
> line 1922, in doit
>     self.build()
>   File "/usr/local/MGLTOOLSS/MGLTools-1.4.6/MGLToolsPckgs/AutoDockTools/autoanalyzeCommands.py",
> line 1759, in build
>     self.intDescr = InteractionDescriptor(lig, macro, percentCutoff)
>   File "/usr/local/MGLTOOLSS/MGLTools-1.4.6/MGLToolsPckgs/MolKit/interactionDescriptor.py",
> line 44, in __init__
>     self.build(detect_pi=detect_pi)
>   File "/usr/local/MGLTOOLSS/MGLTools-1.4.6/MGLToolsPckgs/MolKit/interactionDescriptor.py",
> line 51, in build
>     self.buildHydrogenBonds()           #
>   File "/usr/local/MGLTOOLSS/MGLTools-1.4.6/MGLToolsPckgs/MolKit/interactionDescriptor.py",
> line 117, in buildHydrogenBonds
>     lig_gly_res = d['lig_hb_gly_res'] = lig_hb_res.get(lambda x:
> x.type=='GLY')
> UnboundLocalError: local variable 'lig_hb_res' referenced before assignment
> Plz help..
>
>
>
>
> WIth Regards,
>
>
> Savani Anbalagan
> ________________________________________________
> --- ADL: AutoDock List  --- http://autodock.scripps.edu/mailing_list ---
>
>   



More information about the autodock mailing list