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DCN.prmtop missing #3

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ghost opened this issue Aug 11, 2017 · 4 comments
Open

DCN.prmtop missing #3

ghost opened this issue Aug 11, 2017 · 4 comments

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@ghost
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ghost commented Aug 11, 2017

MAWS.py ./ IL6_edited.pdb
['DGN', 'DAN', 'DTN', 'DCN']
Choosing from candidates ...
Constructing Ligand/Aptamer complex ...
Constructing Ligand/Aptamer complex ...
Constructing Ligand/Aptamer complex ...
Constructing Ligand/Aptamer complex ...
Aptamer/Ligand complex constructed.
Loading Aptamer/Ligand complex ...
Aptamer/Ligand complex constructed.
Loading Aptamer/Ligand complex ...
Aptamer/Ligand complex constructed.
Loading Aptamer/Ligand complex ...
Traceback (most recent call last):
File "/home/theoa/qiime-env/env/bin/MAWS.py", line 1212, in
Aptamer/Ligand complex constructed.
Loading Aptamer/Ligand complex ...
positions_and_Ntides = loop()
File "/home/theoa/qiime-env/env/bin/MAWS.py", line 1105, in loop
pos_Nt_S_task = pool.map(initial,alphabet)
File "/usr/lib64/python2.7/multiprocessing/pool.py", line 250, in map
return self.map_async(func, iterable, chunksize).get()
File "/usr/lib64/python2.7/multiprocessing/pool.py", line 554, in get
raise self._value
IOError: [Errno 2] No such file or directory: 'DCN.prmtop'

@ghost
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ghost commented Aug 21, 2017

After changing 1106 and 1107 to remove Pool use and trying one 'alphabet' at a time I get the same error as previously reported :KeyError:
return float(self._raw_data['POINTERS'][index])
KeyError: 'POINTERS'

@zachmueller
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@bioinformatics-deakin did you ever figure out how to resolve this? I'm running into a similar issue trying to get the code to work. I'm unfamiliar with where the DCN.prmtop file even comes from--do you have a clue where we are supposed to get that? Or does the file get created on the fly while processing the .pdb file?

@ghost
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ghost commented Jan 21, 2018 via email

@Abhigna18
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Hii
did anyone resolve this even I am getting the same error.
please help
Thank you

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