Causes the pipeline to fail when an input contains more than 62 entries due to limitations in the ID combinations.
ERROR ~ Error executing process > 'NFCORE_PROTEINFOLD:BOLTZ:BOLTZ_FASTA (A_protein_UB/boltz_results_ubiquitin/msa/ubiquitin_0_csv)'
Caused by:
Process `NFCORE_PROTEINFOLD:BOLTZ:BOLTZ_FASTA (A_protein_UB/boltz_results_ubiquitin/msa/ubiquitin_0_csv)` terminated with an error exit status (1)
Command executed:
fasta_to_boltz.py 66.fasta A_protein_UB/boltz_results_ubiquitin/msa/ubiquitin_0_csv --yaml_out A_protein_UB/boltz_results_ubiquitin/msa/ubiquitin_0_csv.yaml
cat <<-END_VERSIONS > versions.yml
"NFCORE_PROTEINFOLD:BOLTZ:BOLTZ_FASTA":
python: $(python3 --version | sed 's/Python //g')
END_VERSIONS
Command exit status:
1
Command output:
(empty)
Command error:
WARNING: Skipping mount /run/nvidia-persistenced/socket [files]: /run/nvidia-persistenced/socket doesn't exist in container
WARNING: Skipping mount /var/run/nvidia-persistenced/socket [files]: /var/run/nvidia-persistenced/socket doesn't exist in container
WARNING: Skipping mount /var/lib/apptainer/mnt/session/etc/resolv.conf [files]: /etc/resolv.conf doesn't exist in container
Traceback (most recent call last):
File "/home/z5378336/.nextflow/assets/Australian-Structural-Biology-Computing/proteinfold/bin/fasta_to_boltz.py", line 172, in <module>
sys.exit(main())
File "/home/z5378336/.nextflow/assets/Australian-Structural-Biology-Computing/proteinfold/bin/fasta_to_boltz.py", line 168, in main
fasta_to_boltz(args.FASTA, args.ID, args.yaml_out)
File "/home/z5378336/.nextflow/assets/Australian-Structural-Biology-Computing/proteinfold/bin/fasta_to_boltz.py", line 149, in fasta_to_boltz
add_entity(header, seq_lines)
File "/home/z5378336/.nextflow/assets/Australian-Structural-Biology-Computing/proteinfold/bin/fasta_to_boltz.py", line 128, in add_entity
entity_id = all_combinations[counter]
IndexError: list index out of range
Description of the bug
Causes the pipeline to fail when an input contains more than 62 entries due to limitations in the ID combinations.