Help on job https://mobyle.rpbs.univ-paris-diderot.fr/data/jobs/InterEvDock2/G07335757927895

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(filling in this form I think will take the problem directly to discourse)
This example using input sequences and query-template alignments with AUTOPDB raises an error in the main script:
Traceback (most recent call last):
File “/service/InterEvDock2.py”, line 1594, in
Main()
File “/service/InterEvDock2.py”, line 1397, in Main
checkArgValues(options)
File “/service/InterEvDock2.py”, line 1306, in checkArgValues
if foundFasta and not foundPDBtemplate:
UnboundLocalError: local variable ‘foundFasta’ referenced before assignment

Session information:

  • id: X05716641575098
  • email: None
  • activated?: True
  • authenticated?: False

Job information:

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First piece of answer: the error is linked to the fact that I provided both the fasta sequences and the query-template alignments. This is unexpected -> should fix InterEvDock2.py to check this (fasta and alignment have to be compatible) and adapt so that the foundFasta boolean is always defined.

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@rey Hello Julien,
currently InterEvDock2 assumes it is forbidden to have both fasta sequence and query-template alignment for a given partner (protein A or protein B). When the query-template alignment is given, the fasta seq that will be modeled is extracted as the first seq in the alignment.
Before I edit InterEvDock2.py, do you think this should be dealt with in the web form controls or a posteriori?
I was thinking of checking that when both fasta and query-template ali are provided, the fasta seq are exactly the same, otherwise returning an error with an explicit message to the user.
But maybe it would be better to actually prevent the user from filling both fields.

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