The Molecular Graphics Laboratory Forum

AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
It is currently Sun May 19, 2013 7:06 pm

View unanswered posts | View active topics


Board index » MGL Software » Raccoon

All times are UTC




Post new topic Reply to topic  Page 1 of 1
  [ 6 posts ] 
  Print view Previous topic | Next topic 
Author Message
baoilleach
PostPosted: Fri Jan 28, 2011 12:46 pm 
Offline
Millimolar User
Millimolar User
User avatar

Joined: Fri Jan 28, 2011 12:19 pm
Posts: 5
There's a trivial bug in the code that prevents Raccoon starting with Python 2.6:

Code:
C:\Program Files (x86)\MGLTools 1.5.4>"C:\Python26\python.exe" "C:\Program Files
 (x86)\MGLTools 1.5.4\raccoon.py"
  File "C:\Program Files (x86)\MGLTools 1.5.4\raccoon.py", line 5636
    OutputDirLabelInfo.grid(row = 6, column = 1, columnspan = 3, padx = 5, stick
y = S, columnspan = 2)
SyntaxError: keyword argument repeated
C:\Program Files (x86)\MGLTools 1.5.4>C:\Python25\python raccoon.py


Python 2.5 works fine.
Top
 Profile  
 
stefano
PostPosted: Sat Jan 29, 2011 5:24 am 
Offline
MGL member
MGL member
User avatar

Joined: Mon Oct 20, 2008 6:34 pm
Posts: 196
I guess 2.6 is more picky for this kind of mistakes...
Thank you for reporting it, I've fixed it for the next release of Raccoon!

Stefano
Top
 Profile  
 
eoras
PostPosted: Thu Nov 01, 2012 9:35 am 
Offline
Millimolar User
Millimolar User
User avatar

Joined: Thu Nov 01, 2012 9:30 am
Posts: 2
Hello, I'm using the latest version of MGLTools but has the similar error message as above.

[kjun@linuxnmr autodock]$ pythonsh raccoon.py
setting PYTHONHOME environment
File "raccoon.py", line 5613
OutputDirLabelInfo.grid(row = 6, column = 1, columnspan = 3, padx = 5, sticky = S, columnspan = 2)
SyntaxError: keyword argument repeated

What can I do to solve this error?

Thanks,
Kyu-Yeon
Top
 Profile  
 
stefano
PostPosted: Thu Nov 01, 2012 8:42 pm 
Offline
MGL member
MGL member
User avatar

Joined: Mon Oct 20, 2008 6:34 pm
Posts: 196
Hi,

this is an old bug, and I should have fixed a while ago...
Open the "raccoon.py" file with an editor and modify line 5613:
Code:
OutputDirLabelInfo.grid(row = 6, column = 1, columnspan = 3, padx = 5, sticky = S, columnspan = 2)

so that it looks like this:
Code:
OutputDirLabelInfo.grid(row = 6, column = 1, columnspan = 3, padx = 5, sticky = S)


Stefano
Top
 Profile  
 
eoras
PostPosted: Fri Nov 02, 2012 1:24 am 
Offline
Millimolar User
Millimolar User
User avatar

Joined: Thu Nov 01, 2012 9:30 am
Posts: 2
Thank you!

Now it's working.^^

At least it is opening. But I'm having another problem. The script was not generated and I get this background error message.

Code:
Error: 1
<type 'exceptions.NotImplementedError'> Exception in Tk callback
  Function: <function TheFunction at 0xa77c3ac> (type: <type 'function'>)
  Args: ()
Traceback (innermost last):
  File "/home/kjun/MGLTools-latest/lib/python2.7/site-packages/Pmw/Pmw_1_3/lib/PmwBase.py", line 1747, in __call__
    return apply(self.func, args)
  File "raccoon.py", line 4573, in TheFunction
    prepareDPF(dpf_file, receptor, ligand, flex_res)
  File "raccoon.py", line 4022, in prepareDPF
    dm.write_dpf(dpf_filename, parameter_list, pop_seed)
  File "raccoon.py", line 3761, in write_dpf
    self.dpo.write42(dpf_filename, parm_list)
  File "/home/kjun/MGLTools-latest/MGLToolsPckgs/Updates/tested/AutoDockTools/DockingParameters.py", line 1300, in write42
    dpf_ptr.write( self.make_param_string('autodock_parameter_version'))
  File "/home/kjun/MGLTools-latest/MGLToolsPckgs/Updates/tested/AutoDockTools/DockingParameters.py", line 987, in make_param_string
    raise NotImplementedError, "type (%s) of parameter %s unsupported" % (vt.__name__, param
<type 'exceptions.NotImplementedError'>: type (unicode) of parameter autodock_parameter_version unsupported
Top
 Profile  
 
stefano
PostPosted: Fri Feb 22, 2013 9:50 pm 
Offline
MGL member
MGL member
User avatar

Joined: Mon Oct 20, 2008 6:34 pm
Posts: 196
eoras,
it seems the problem is related to the ADT version you are using.
Try to download the 1.5.6rc3 and see if the problem persists.

Stefano
Top
 Profile  
 
Display posts from previous:  Sort by  
Post new topic Reply to topic  Page 1 of 1
  [ 6 posts ] 

Board index » MGL Software » Raccoon

All times are UTC


Who is online

Users browsing this forum: No registered users and 1 guest

You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum

Search for:
Jump to:  
cron
POWERED_BY
Translated by Maël Soucaze © 2009 phpBB.fr