Project name: AMS132 dyn

Status: error

Started: 2021-02-26 13:56:44
Settings
Chain sequence(s) A: NIVMTQTPLSLSVTPGQPASISCKSSQSLLHSDGKTYLYWYLQKPGQSPQLLIYEVSSRFSGVPDRFSGSGSGTDFALKISRVEAEDVGIYYCMQPSPFQTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECQVQLQQSGPGLVKPSQTLSLTCAISGDSVSSNTMAWNWIRQSPSRGLEWLGRTYRGSIYYNDYVVSVRSRITINSDTFKNQLSLQLNSVTPEDTAVYYCARGNLNGFDIWGQGTKVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKT
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
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]                                               (00:02:57)
[WARNING]    JOB:      /STORAGE/DATA/lcbio/aggreskan/e5cbba5468b6496/CABS_sim already exists.      
                       Output data will be overwritten.                                            (00:02:57)
[DEBUG]      Protein:  Preparing the complex                                                       (00:02:57)
[DEBUG]      PDB:      Creating Pdb object from input.pdb                                          (00:02:58)
[DEBUG]      PDB:      Processing input.pdb                                                        (00:02:58)
[DEBUG]      PDB:      Removing alternative locations from input.pdb                               (00:02:58)
[DEBUG]      PDB:      Removing water molecules from input.pdb                                     (00:02:58)
[DEBUG]      PDB:      Scanning input.pdb for non-standard amino acids                             (00:02:59)
[DEBUG]      PDB:      Removing heteroatoms from input.pdb                                         (00:03:01)
[DEBUG]      PDB:      Selecting [name CA] from input.pdb                                          (00:03:02)
[INFO]       Protein:  Loading input.pdb as input protein                                          (00:03:02)
[DEBUG]      PDB:      Running DSSP                                                                (00:03:03)
[DEBUG]      PDB:      DSSP successful                                                             (00:03:03)
[OUT FILES]  Logger:   Saving DSSP output to /STORAGE/DATA/lcbio/aggreskan/e5cbba5468b6496/CABS_si 
                       m/output_data/DSSP_output_input.txt                                         (00:03:03)
[WARNING]    Protein:  Could not read weights file: gauss                                          (00:03:05)
[WARNING]    Protein:  Using default weights(1.0) for all atoms.                                   (00:03:05)
[DEBUG]      Protein:  Complex successfully created                                                (00:03:07)
[INFO]       CABS:     Setting up CABS simulation.                                                 (00:03:07)
[DEBUG]      CABS:     Loading structures...                                                       (00:03:08)
[DEBUG]      CABS:     Loading restraints...                                                       (00:03:17)
[DEBUG]      CABS:     Building exe...                                                             (00:03:18)
[WARNING]    CABS:      Program received signal SIGSEGV: Segmentation fault - invalid memory       
                       reference.  Backtrace for this error: #0  0x2B1C6D2146F7 #1  0x2B1C6D214D3E 
                       #2  0x2B1C6DCA72EF #3  0x40A250 in MAIN__ at -:?                            (00:03:28)
[DEBUG]      JOB:      Loading trajectories from the CABS run                                      (00:03:28)
[CRITICAL]   CABSflex: 'NoneType' object has no attribute 'replica' 'NoneType' object has no       
                       attribute 'replica': 'NoneType' object has no attribute 'replica'           (00:03:28)
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 406, in load_output
    self.trajectory = self.cabsrun.get_trajectory()
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/CABS/cabs.py", line 302, in get_trajectory
    return Trajectory.read_trajectory(traf, seq)
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/CABS/trajectory.py", line 158, in read_trajectory
    headers, coordinates = Trajectory.read_traf(traf)
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/CABS/trajectory.py", line 147, in read_traf
    save_coord(current_coord, current_header.replica)
AttributeError: 'NoneType' object has no attribute 'replica'

Laboratory of Theory of Biopolymers 2018