Error log |
One of Aggrescan3D modules (CABS) encountered an error.
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[INFO] Logger: Verbosity set to: 4 - [DEBUG] (00:00:04)
[WARNING] JOB: /STORAGE/DATA/lcbio/aggreskan/a767e0fdfb5e068/CABS_sim already exists.
Output data will be overwritten. (00:00:04)
[DEBUG] Protein: Preparing the complex (00:00:04)
[DEBUG] PDB: Creating Pdb object from input.pdb (00:00:04)
[DEBUG] PDB: Processing input.pdb (00:00:04)
[DEBUG] PDB: Removing alternative locations from input.pdb (00:00:04)
[DEBUG] PDB: Removing water molecules from input.pdb (00:00:04)
[DEBUG] PDB: Scanning input.pdb for non-standard amino acids (00:00:04)
[DEBUG] PDB: Removing heteroatoms from input.pdb (00:00:04)
[DEBUG] PDB: Selecting [name CA] from input.pdb (00:00:04)
[INFO] Protein: Loading input.pdb as input protein (00:00:04)
[DEBUG] PDB: Running DSSP (00:00:04)
[DEBUG] PDB: DSSP successful (00:00:04)
[OUT FILES] Logger: Saving DSSP output to /STORAGE/DATA/lcbio/aggreskan/a767e0fdfb5e068/CABS_si
m/output_data/DSSP_output_input.txt (00:00:04)
[WARNING] Protein: Could not read weights file: gauss (00:00:04)
[WARNING] Protein: Using default weights(1.0) for all atoms. (00:00:04)
[DEBUG] Protein: Complex successfully created (00:00:04)
[INFO] CABS: Setting up CABS simulation. (00:00:04)
[DEBUG] CABS: Loading structures... (00:00:04)
[DEBUG] CABS: Loading restraints... (00:00:04)
[DEBUG] CABS: Building exe... (00:00:05)
[DEBUG] JOB: Loading trajectories from the CABS run (00:05:55)
[CRITICAL] CABSflex: No sequential similarity between input and reference according to used
alignment method (trivial). No sequential similarity between input and
reference according to used alignment method (trivial).: No sequential
similarity between input and reference according to used alignment method
(trivial). (00:05:56)
Traceback (most recent call last):
File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/CABS/__main__.py", line 55, in run
job.run()
File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/CABS/job.py", line 180, in run
self.load_output(file_traf, file_seq)
File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/CABS/job.py", line 726, in load_output
ret = super(FlexTask, self).load_output(*args, **kwargs)
File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/CABS/job.py", line 414, in load_output
self.initial_complex.protein, chs, tchs, align_mth='trivial'
File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/CABS/trajectory.py", line 280, in align_to
return align.align_to(ref_stc, ref_chs, self.template, self_chs, align_mth, kwargs)
File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/CABS/align.py", line 163, in align_to
raise ValueError('No sequential similarity between input and reference according to used alignment method (%s).' % align_mth)
ValueError: No sequential similarity between input and reference according to used alignment method (trivial).
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