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DCN.prmtop missing #3
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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: |
@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? |
Hi,
the file is an Amber Tools File. I never got MAWS to work and I think as it is, it never will. I contacted the developers but I got no reply.
Sorry can't be more help.
Theo
…________________________________________
From: Zach Mueller [[email protected]]
Sent: Sunday, 21 January 2018 12:40 PM
To: igemsoftware/Heidelberg_15
Cc: bioinformatics; Mention
Subject: Re: [igemsoftware/Heidelberg_15] DCN.prmtop missing (#3)
@bioinformatics-deakin<https://github.com/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?
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|
Hii |
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'
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