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colabfold_model_preset will not run with 'auto' option

Open tlitfin-unsw opened this issue 9 months ago • 0 comments

Description of the bug

One of the options for --colabfold_model_preset is 'auto' which will detect whether the system is a monomer or multimer and run the appropriate model (alphafold2_ptm for monomer and alphafold2_multimer_v3 for multimer).

Selecting 'auto' in the proteinfold pipeline will not run. The source of failure is here since 'auto' is not a valid key for the colabfold_alphafold2_params_tags dict which returns a null file in to the ch_params here.

Command used and terminal output

nextflow run ./proteinfold \
      --input samplesheet.csv \
      --outdir ./test-out/ \
      --mode colabfold \
      --colabfold_server webserver \
      --colabfold_db /path/to/db/ \
      --num_recycles_colabfold 3 \
      --use_gpu True \
      --colabfold_model_preset "auto" \
      -profile apptainer \
      -c my_proteinfold.config \

Relevant files

No response

System information

No response

tlitfin-unsw avatar Mar 25 '25 01:03 tlitfin-unsw