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Unable to import local Vina results to Raccoon2
http://mgl.scripps.edu/forum/viewtopic.php?f=31&t=2994
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Author:  khai01992 [ Tue Jul 07, 2015 4:40 pm ]
Post subject:  Unable to import local Vina results to Raccoon2

I had run my virtual screening through Autodock vina using local computational resources and would like to import the results into Raccoon2 for analysis.

However, as I try to process the vina directory, an error message pops out as shown below:

Error: 2
<type 'exceptions.TypeError'> Exception in Tk callback
Function: <bound method ResultsManager.processDirVINA of <CADD.Raccoon2.gui.FF_anaylsis.ResultsManager instance at 0x129D6B98>> (type: <type 'instancemethod'>)
Args: ()
Traceback (innermost last):
File "C:\Program Files (x86)\MGLTools-1.5.7rc1\lib\site-packages\Pmw\Pmw_1_3\lib\PmwBase.py", line 1747, in __call__
return apply(self.func, args)
File "C:\Program Files (x86)\MGLTools-1.5.7rc1\lib\site-packages\CADD\Raccoon2\gui\FF_anaylsis.py", line 496, in processDirVINA
self.app.resultsProcessor.setReceptor(receptor)
File "C:\Program Files (x86)\MGLTools-1.5.7rc1\lib\site-packages\CADD\Raccoon2\gui\RaccoonVsResults.py", line 87, in setReceptor
self.processor.setReceptor(receptor)
File "C:\Program Files (x86)\MGLTools-1.5.7rc1\lib\site-packages\CADD\Raccoon2\gui\VsResultsGenerator.py", line 192, in setReceptor
self.rec_bht = bhtreelib.BHtree( self.receptor['coord'], None, 10)
<type 'exceptions.TypeError'>: string indices must be integers


I had tried to import both my results as well as the sample data for Raccoon2 for several times but the same error message was seen every time.

Deeply appreciated for any helps and suggestions. Thank you.

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