google-deepmind / google-deepmind/alphafold
v2.3.1 generates errors for multimer
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- Python
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Description
v2.3.1 runs ok with monomer, and same complex ran fine in v2.2.0. Thanks in advance for any help.
I0307 13:49:31.936174 140117654611776 run_docker.py:258] Traceback (most recent call last):
I0307 13:49:31.936233 140117654611776 run_docker.py:258] File "/app/alphafold/run_alphafold.py", line 468, in
I0307 13:49:31.936311 140117654611776 run_docker.py:258] app.run(main)
I0307 13:49:31.936362 140117654611776 run_docker.py:258] File "/opt/conda/lib/python3.8/site-packages/absl/app.py", line 312, in run
I0307 13:49:31.936411 140117654611776 run_docker.py:258] _run_main(main, args)
I0307 13:49:31.936461 140117654611776 run_docker.py:258] File "/opt/conda/lib/python3.8/site-packages/absl/app.py", line 258, in _run_main
I0307 13:49:31.936508 140117654611776 run_docker.py:258] sys.exit(main(argv))
I0307 13:49:31.936554 140117654611776 run_docker.py:258] File "/app/alphafold/run_alphafold.py", line 443, in main
I0307 13:49:31.936602 140117654611776 run_docker.py:258] predict_structure(
I0307 13:49:31.936650 140117654611776 run_docker.py:258] File "/app/alphafold/run_alphafold.py", line 196, in predict_structure
I0307 13:49:31.936697 140117654611776 run_docker.py:258] feature_dict = data_pipeline.process(
I0307 13:49:31.936744 140117654611776 run_docker.py:258] File "/app/alphafold/alphafold/data/pipeline_multimer.py", line 264, in process
I0307 13:49:31.936791 140117654611776 run_docker.py:258] chain_features = self._process_single_chain(
I0307 13:49:31.936838 140117654611776 run_docker.py:258] File "/app/alphafold/alphafold/data/pipeline_multimer.py", line 212, in _process_single_chain
I0307 13:49:31.936885 140117654611776 run_docker.py:258] chain_features = self._monomer_data_pipeline.process(
I0307 13:49:31.936933 140117654611776 run_docker.py:258] File "/app/alphafold/alphafold/data/pipeline.py", line 185, in process
I0307 13:49:31.936989 140117654611776 run_docker.py:258] pdb_templates_result = self.template_searcher.query(msa_for_templates)
I0307 13:49:31.937038 140117654611776 run_docker.py:258] File "/app/alphafold/alphafold/data/tools/hmmsearch.py", line 79, in query
I0307 13:49:31.937087 140117654611776 run_docker.py:258] return self.query_with_hmm(hmm)
I0307 13:49:31.937134 140117654611776 run_docker.py:258] File "/app/alphafold/alphafold/data/tools/hmmsearch.py", line 112, in query_with_hmm
I0307 13:49:31.937181 140117654611776 run_docker.py:258] raise RuntimeError(
I0307 13:49:31.937229 140117654611776 run_docker.py:258] RuntimeError: hmmsearch failed:
I0307 13:49:31.937277 140117654611776 run_docker.py:258] stdout:
I0307 13:49:31.937325 140117654611776 run_docker.py:258] # hmmsearch :: search profile(s) against a sequence database
I0307 13:49:31.937371 140117654611776 run_docker.py:258] # HMMER 3.1b2 (February 2015); http://hmmer.org/
I0307 13:49:31.937417 140117654611776 run_docker.py:258] # Copyright (C) 2015 Howard Hughes Medical Institute.
I0307 13:49:31.937464 140117654611776 run_docker.py:258] # Freely distributed under the GNU General Public License (GPLv3).
I0307 13:49:31.937512 140117654611776 run_docker.py:258] # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
I0307 13:49:31.937559 140117654611776 run_docker.py:258] # query HMM file: /tmp/tmpmvi828ro/query.hmm
I0307 13:49:31.937606 140117654611776 run_docker.py:258] # target sequence database: /mnt/pdb_seqres_database_path/pdb_seqres.txt
I0307 13:49:31.937654 140117654611776 run_docker.py:258] # MSA of all hits saved to file: /tmp/tmpmvi828ro/output.sto
I0307 13:49:31.937700 140117654611776 run_docker.py:258] # show alignments in output: no
I0307 13:49:31.937747 140117654611776 run_docker.py:258] # sequence reporting threshold: E-value <= 100
I0307 13:49:31.937793 140117654611776 run_docker.py:258] # domain reporting threshold: E-value <= 100
I0307 13:49:31.937840 140117654611776 run_docker.py:258] # sequence inclusion threshold: E-value <= 100
I0307 13:49:31.937888 140117654611776 run_docker.py:258] # domain inclusion threshold: E-value <= 100
I0307 13:49:31.937935 140117654611776 run_docker.py:258] # MSV filter P threshold: <= 0.1
I0307 13:49:31.937987 140117654611776 run_docker.py:258] # Vit filter P threshold: <= 0.1
I0307 13:49:31.938035 140117654611776 run_docker.py:258] # Fwd filter P threshold: <= 0.1
I0307 13:49:31.938083 140117654611776 run_docker.py:258] # number of worker threads: 8
I0307 13:49:31.938131 140117654611776 run_docker.py:258] # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
I0307 13:49:31.938179 140117654611776 run_docker.py:258]
I0307 13:49:31.938225 140117654611776 run_docker.py:258] Query: query [M=280]
I0307 13:49:31.938272 140117654611776 run_docker.py:258]
I0307 13:49:31.938319 140117654611776 run_docker.py:258]
I0307 13:49:31.938365 140117654611776 run_docker.py:258] stderr:
I0307 13:49:31.938413 140117654611776 run_docker.py:258] Parse failed (sequence file /mnt/pdb_seqres_database_path/pdb_seqres.txt):
I0307 13:49:31.938460 140117654611776 run_docker.py:258] Line 1366902: illegal character 0
I0307 13:49:31.938515 140117654611776 run_docker.py:258]
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