Project name: a767e0fdfb5e068

Status: error

Started: 2023-09-25 12:28:03
Settings
Chain sequence(s) A: TTGLYKRTPRYPEELLLLVSQSLPSKEDEYPVGSEPKSPGYRVKEAGELTGTVEPPPGTYIALNGLSKLQQMDPAMGLRASRNSRTENAVGSPGFIVQDGDAARAYA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode Yes
Automated mutations No
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).

Laboratory of Theory of Biopolymers 2018