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Fix comBGC: parsing multiple antiSMASH files #407

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merged 2 commits into from
Jul 24, 2024
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@jasmezz jasmezz commented Jul 24, 2024

Symptoms before: Sometimes comBGC output contained correct BGC hits from antiSMASH, sometimes not.

2 reasons:
1. comBGC level: There was one indent level missing in a for loop, leading to only the last file of the supplied antiSMASH GBKs being parsed 🫠
2. pipeline level: The output channel of the antismash/antismashlite module (which is input for comBGC) contains too many GBK files. We only want one file per sample (<samplename>.gbk), not all individual BGC-region GBKs (multiple files like k141_1214065.region001.gbk). This is fixed now by comBGC excluding files with the region[0-9][0-9][0-9] pattern in their names.

One could also fix 2. by applying a more specific glob pattern on module level, which I didn't get to work. For example, !(*region[0-9][0-9][0-9]).gbk does the job if applied in bash terminal manually, but somehow not when applied via the module's main.nf like tuple val(meta), path("${prefix}/!(*region[0-9][0-9][0-9]).gbk") , emit: gbk_input 🤷

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github-actions bot commented Jul 24, 2024

nf-core lint overall result: Passed ✅

Posted for pipeline commit 4f0ca0a

+| ✅ 328 tests passed       |+
#| ❔   1 tests were ignored |#

❔ Tests ignored:

✅ Tests passed:

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  • nextflow_config - Config manifest.name began with nf-core/
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  • nextflow_config - Config default value correct: params.annotation_prokka_gcode= 11
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  • nextflow_config - Config default value correct: params.amp_ampcombi_parsetables_cutoff= 0.6
  • nextflow_config - Config default value correct: params.amp_ampcombi_parsetables_aalength= 100
  • nextflow_config - Config default value correct: params.amp_ampcombi_parsetables_dbevalue= 5.0
  • nextflow_config - Config default value correct: params.amp_ampcombi_parsetables_hmmevalue= 0.06
  • nextflow_config - Config default value correct: params.amp_ampcombi_parsetables_windowstopcodon= 60
  • nextflow_config - Config default value correct: params.amp_ampcombi_parsetables_windowtransport= 11
  • nextflow_config - Config default value correct: params.amp_ampcombi_parsetables_ampir= .ampir.tsv
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  • nextflow_config - Config default value correct: params.amp_ampcombi_cluster_covmode= 0.0
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  • nextflow_config - Config default value correct: params.arg_deeparg_alignmentoverlap= 0.8
  • nextflow_config - Config default value correct: params.arg_deeparg_numalignmentsperentry= 1000
  • nextflow_config - Config default value correct: params.arg_fargene_hmmmodel= class_a,class_b_1_2,class_b_3,class_c,class_d_1,class_d_2,qnr,tet_efflux,tet_rpg,tet_enzyme
  • nextflow_config - Config default value correct: params.arg_fargene_minorflength= 90
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  • nextflow_config - Config default value correct: params.bgc_mincontiglength= 3000
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  • nextflow_config - Config default value correct: params.bgc_antismash_hmmdetectionstrictness= relaxed
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  • readme - README Nextflow minimum version badge matched config. Badge: 23.04.0, Config: 23.04.0
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  • multiqc_config - assets/multiqc_config.yml contains 'export_plots: true'.
  • modules_structure - modules directory structure is correct 'modules/nf-core/TOOL/SUBTOOL'
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  • base_config - UNTAR found in conf/base.config and Nextflow scripts.
  • base_config - PROKKA found in conf/base.config and Nextflow scripts.
  • base_config - PRODIGAL_GBK found in conf/base.config and Nextflow scripts.
  • base_config - BAKTA_BAKTA found in conf/base.config and Nextflow scripts.
  • base_config - ABRICATE_RUN found in conf/base.config and Nextflow scripts.
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  • base_config - ANTISMASH_ANTISMASHLITE found in conf/base.config and Nextflow scripts.
  • base_config - ANTISMASH_ANTISMASHLITEDOWNLOADDATABASES found in conf/base.config and Nextflow scripts.
  • base_config - DEEPBGC_DOWNLOAD found in conf/base.config and Nextflow scripts.
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  • base_config - GECCO_RUN found in conf/base.config and Nextflow scripts.
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  • modules_config - MMSEQS_CREATETSV found in conf/modules.config and Nextflow scripts.
  • modules_config - SEQKIT_SEQ found in conf/modules.config and Nextflow scripts.
  • modules_config - PROKKA found in conf/modules.config and Nextflow scripts.
  • modules_config - BAKTA_BAKTADBDOWNLOAD found in conf/modules.config and Nextflow scripts.
  • modules_config - BAKTA_BAKTA found in conf/modules.config and Nextflow scripts.
  • modules_config - PRODIGAL found in conf/modules.config and Nextflow scripts.
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  • modules_config - ABRICATE_RUN found in conf/modules.config and Nextflow scripts.
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  • modules_config - DEEPARG_DOWNLOADDATA found in conf/modules.config and Nextflow scripts.
  • modules_config - DEEPARG_PREDICT found in conf/modules.config and Nextflow scripts.
  • modules_config - FARGENE found in conf/modules.config and Nextflow scripts.
  • modules_config - UNTAR_CARD found in conf/modules.config and Nextflow scripts.
  • modules_config - RGI_CARDANNOTATION found in conf/modules.config and Nextflow scripts.
  • modules_config - RGI_MAIN found in conf/modules.config and Nextflow scripts.
  • modules_config - AMPIR found in conf/modules.config and Nextflow scripts.
  • modules_config - AMPLIFY_PREDICT found in conf/modules.config and Nextflow scripts.
  • modules_config - AMP_HMMER_HMMSEARCH found in conf/modules.config and Nextflow scripts.
  • modules_config - MACREL_CONTIGS found in conf/modules.config and Nextflow scripts.
  • modules_config - BGC_HMMER_HMMSEARCH found in conf/modules.config and Nextflow scripts.
  • modules_config - ANTISMASH_ANTISMASHLITE found in conf/modules.config and Nextflow scripts.
  • modules_config - ANTISMASH_ANTISMASHLITEDOWNLOADDATABASES found in conf/modules.config and Nextflow scripts.
  • modules_config - DEEPBGC_DOWNLOAD found in conf/modules.config and Nextflow scripts.
  • modules_config - DEEPBGC_PIPELINE found in conf/modules.config and Nextflow scripts.
  • modules_config - GECCO_RUN found in conf/modules.config and Nextflow scripts.
  • modules_config - HAMRONIZATION_ABRICATE found in conf/modules.config and Nextflow scripts.
  • modules_config - HAMRONIZATION_AMRFINDERPLUS found in conf/modules.config and Nextflow scripts.
  • modules_config - HAMRONIZATION_DEEPARG found in conf/modules.config and Nextflow scripts.
  • modules_config - HAMRONIZATION_RGI found in conf/modules.config and Nextflow scripts.
  • modules_config - HAMRONIZATION_FARGENE found in conf/modules.config and Nextflow scripts.
  • modules_config - HAMRONIZATION_SUMMARIZE found in conf/modules.config and Nextflow scripts.
  • modules_config - MERGE_TAXONOMY_HAMRONIZATION found in conf/modules.config and Nextflow scripts.
  • modules_config - ARG_TABIX_BGZIP found in conf/modules.config and Nextflow scripts.
  • modules_config - AMPCOMBI2_PARSETABLES found in conf/modules.config and Nextflow scripts.
  • modules_config - AMPCOMBI2_COMPLETE found in conf/modules.config and Nextflow scripts.
  • modules_config - AMPCOMBI2_CLUSTER found in conf/modules.config and Nextflow scripts.
  • modules_config - MERGE_TAXONOMY_AMPCOMBI found in conf/modules.config and Nextflow scripts.
  • modules_config - AMP_TABIX_BGZIP found in conf/modules.config and Nextflow scripts.
  • modules_config - COMBGC found in conf/modules.config and Nextflow scripts.
  • modules_config - MERGE_TAXONOMY_COMBGC found in conf/modules.config and Nextflow scripts.
  • modules_config - BGC_TABIX_BGZIP found in conf/modules.config and Nextflow scripts.
  • modules_config - DRAMP_DOWNLOAD found in conf/modules.config and Nextflow scripts.
  • nfcore_yml - Repository type in .nf-core.yml is valid: pipeline
  • nfcore_yml - nf-core version in .nf-core.yml is set to the latest version: 2.14.1

Run details

  • nf-core/tools version 2.14.1
  • Run at 2024-07-24 16:24:54

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I can't comment on the python here but if it's well tested looks good too me

@jasmezz
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jasmezz commented Jul 24, 2024

The big Python block is really just indentation within a for loop 🙃 And yes, tested thoroughly!

@jasmezz jasmezz merged commit 0ff6343 into dev Jul 24, 2024
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@jasmezz jasmezz deleted the fix-combgc-parsing branch July 24, 2024 17:54
@jasmezz jasmezz mentioned this pull request Jul 29, 2024
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2 participants