Project name: 12fe4e4f448e928

Status: error

Started: 2025-02-07 19:09:49
Settings
Chain sequence(s) A: MGSSHHHHHHSSGENLYFQGAMAIAMLVPNKTQVVPKSGGEGKVKDIFASPALVRAGGVMIAFVEGRTKNKLFPEVIDLSSSDIVAGYIKAPETWQSLVAEVTKEYWQAHTVLESANNSNHRVGVARLPTGITRGNKVFLLVGSYEERREIDDYIWKAEAWNIKVIEGEATQSTEVQPTQPINWSEPKPLFQTDSPNNKGDLKEFLGGGGSGIVMGNGTLVFPLTAKDESNKVFSLITYSTDDGQKWEIPGGVSSVACRSPRVTEWEEGTLLMVTYCEDGRKVFESRDMGKTWTEAFGTLPGVWLKSGPELPEVSLRVDALITATIEGRKVMLYTQKVRHFLEVDEPNALHLWVTDNNRTFHLGPFSVDCAENKTFANTLLYSDDALHLLQAKGDHESTAVSLARLTEELNTI
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations Yes
Error log
Aggrescan encountered an error and it wasn't one we were expecting. 
Please see the the following Traceback, perhaps it will be helpfull in understanding what happened.
We would be grateful if you reported the incident to one of the authors so we can correct the error.
Traceback (most recent call last):
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/aggrescan/__main__.py", line 37, in run_program
    a.run_job()
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/aggrescan/newRunJob.py", line 109, in run_job
    self.cleanup()
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/aggrescan/newRunJob.py", line 187, in cleanup
    shutil.move(join(self.tmp_dir, "A3D.csv"), join(self.work_dir, "A3D.csv"))
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/shutil.py", line 325, in move
    copy2(src, real_dst)
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/shutil.py", line 153, in copy2
    copyfile(src, dst)
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/shutil.py", line 96, in copyfile
    with open(src, 'rb') as fsrc:
IOError: [Errno 2] No such file or directory: '/STORAGE/DATA/lcbio/aggreskan/12fe4e4f448e928/tmp/A3D.csv'
One of Aggrescan3D modules (FoldX) encountered an error. 
FoldX didn't produce expected repair files. Can't continue without it. This is unexpected and could indicate FoldX issues.

Laboratory of Theory of Biopolymers 2018