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Description
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'