ADL: Unable to assign MAP type to atom Mo

info_jai info_jai at yahoo.com
Mon Dec 16 19:17:35 PST 2013


Dear Dr. Muthukumaran, 
You can add charge for all types of metals. I have attached a parameter file in this email. You should place this parameter file in working directory of autodock i.e., the directory in which you have saved *.gpf and *.dpf files
 
Then, in the saved *.gpf and *.dpf files, add the following one line command at first line of the file:
parameter_file AD4_parameters.dat
Cheers,
Dr. Jayakanthan ( I hope you could remember me)

Sent from Samsung Mobile

-------- Original message --------
From: Jayaraman Muthukumaran <bioinfo_muthu at yahoo.co.in> 
Date: 16/12/2013  8:23 PM  (GMT+05:30) 
To: autodock at scripps.edu 
Subject: ADL: Unable to assign MAP type to atom Mo 
 
Dear Sir,
I am running protein-ligand using auto-dock, i got above mentioned error,
because in my protein has Mo as cofactor. I could solve this, please help me
this regard
Below, the detail error message:

adding gasteiger charges to  prepdock
Unable to assign MAP type to atom Mo
Sorry, there are no Gasteiger parameters available for atom
prepdock:C:PCC733:MO

ERROR *********************************************
Traceback (most recent call last):
  File "C:\Program Files
(x86)\MGLTools-1.5.6\lib\site-packages\ViewerFramework\VF.py", line 898, in
tryto
    result = command( *args, **kw )
  File "C:\Program Files
(x86)\MGLTools-1.5.6\lib\site-packages\AutoDockTools\autostartCommands.py",
line 964, in doit
    ps = subprocess.Popen(args)
  File "C:\Program Files (x86)\MGLTools-1.5.6\lib\subprocess.py", line 594,
in __init__
    errread, errwrite)
  File "C:\Program Files (x86)\MGLTools-1.5.6\lib\subprocess.py", line 816,
in _execute_child
    startupinfo)
WindowsError: [Error 2] The system cannot find the file specified


Thanking you

Yours Sincerely
Muthu



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