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Add InterProScan to Pipeline and integrate in AMPcombi #428

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merged 30 commits into from
Feb 11, 2025

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Darcy220606
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@Darcy220606 Darcy220606 commented Dec 9, 2024

PR checklist

This PR adds InterProScan to FUNCSCAN. It also integrates it into AMPcombi v2.0.1, which can parse its output as an optional flag.

This PR also closes issue #434

🚨 🚨 As interproscan requires a large database, i have not added it to any of the CI tests as that would require 4 hours for just downloading the database!!!!

👀 👀 👀 👀 👀 👀 Still TODO once AMPcombi 2.0.1 is updated in nf-core: DONE!!


  • This comment contains a description of changes (with reason).
  • If you've fixed a bug or added code that should be tested, add tests!
  • If you've added a new tool - have you followed the pipeline conventions in the contribution docs
  • If necessary, also make a PR on the nf-core/funcscan branch on the nf-core/test-datasets repository.
  • Make sure your code lints (nf-core lint).
  • Ensure the test suite passes (nextflow run . -profile test,docker --outdir <OUTDIR>).
  • Check for unexpected warnings in debug mode (nextflow run . -profile debug,test,docker --outdir <OUTDIR>).
  • Usage Documentation in docs/usage.md is updated.
  • Output Documentation in docs/output.md is updated.
  • CHANGELOG.md is updated.
  • README.md is updated (including new tool citations and authors/contributors).

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github-actions bot commented Dec 9, 2024

nf-core pipelines lint overall result: Passed ✅ ⚠️

Posted for pipeline commit f68d316

+| ✅ 352 tests passed       |+
#| ❔   1 tests were ignored |#
!| ❗  14 tests had warnings |!

❗ Test warnings:

❔ Tests ignored:

✅ Tests passed:

  • files_exist - File found: .gitattributes
  • files_exist - File found: .gitignore
  • files_exist - File found: .nf-core.yml
  • files_exist - File found: .editorconfig
  • files_exist - File found: .prettierignore
  • files_exist - File found: .prettierrc.yml
  • files_exist - File found: CHANGELOG.md
  • files_exist - File found: CITATIONS.md
  • files_exist - File found: CODE_OF_CONDUCT.md
  • files_exist - File found: LICENSE or LICENSE.md or LICENCE or LICENCE.md
  • files_exist - File found: nextflow_schema.json
  • files_exist - File found: nextflow.config
  • files_exist - File found: README.md
  • files_exist - File found: .github/.dockstore.yml
  • files_exist - File found: .github/CONTRIBUTING.md
  • files_exist - File found: .github/ISSUE_TEMPLATE/bug_report.yml
  • files_exist - File found: .github/ISSUE_TEMPLATE/config.yml
  • files_exist - File found: .github/ISSUE_TEMPLATE/feature_request.yml
  • files_exist - File found: .github/PULL_REQUEST_TEMPLATE.md
  • files_exist - File found: .github/workflows/branch.yml
  • files_exist - File found: .github/workflows/ci.yml
  • files_exist - File found: .github/workflows/linting_comment.yml
  • files_exist - File found: .github/workflows/linting.yml
  • files_exist - File found: assets/email_template.html
  • files_exist - File found: assets/email_template.txt
  • files_exist - File found: assets/sendmail_template.txt
  • files_exist - File found: assets/nf-core-funcscan_logo_light.png
  • files_exist - File found: conf/modules.config
  • files_exist - File found: conf/test.config
  • files_exist - File found: conf/test_full.config
  • files_exist - File found: docs/images/nf-core-funcscan_logo_light.png
  • files_exist - File found: docs/images/nf-core-funcscan_logo_dark.png
  • files_exist - File found: docs/output.md
  • files_exist - File found: docs/README.md
  • files_exist - File found: docs/README.md
  • files_exist - File found: docs/usage.md
  • files_exist - File found: main.nf
  • files_exist - File found: assets/multiqc_config.yml
  • files_exist - File found: conf/base.config
  • files_exist - File found: .github/workflows/awstest.yml
  • files_exist - File found: .github/workflows/awsfulltest.yml
  • files_exist - File found: modules.json
  • files_exist - File found: ro-crate-metadata.json
  • files_exist - File not found check: .github/ISSUE_TEMPLATE/bug_report.md
  • files_exist - File not found check: .github/ISSUE_TEMPLATE/feature_request.md
  • files_exist - File not found check: .github/workflows/push_dockerhub.yml
  • files_exist - File not found check: .markdownlint.yml
  • files_exist - File not found check: .nf-core.yaml
  • files_exist - File not found check: .yamllint.yml
  • files_exist - File not found check: bin/markdown_to_html.r
  • files_exist - File not found check: conf/aws.config
  • files_exist - File not found check: docs/images/nf-core-funcscan_logo.png
  • files_exist - File not found check: lib/Checks.groovy
  • files_exist - File not found check: lib/Completion.groovy
  • files_exist - File not found check: lib/NfcoreTemplate.groovy
  • files_exist - File not found check: lib/Utils.groovy
  • files_exist - File not found check: lib/Workflow.groovy
  • files_exist - File not found check: lib/WorkflowMain.groovy
  • files_exist - File not found check: lib/WorkflowFuncscan.groovy
  • files_exist - File not found check: parameters.settings.json
  • files_exist - File not found check: pipeline_template.yml
  • files_exist - File not found check: Singularity
  • files_exist - File not found check: lib/nfcore_external_java_deps.jar
  • files_exist - File not found check: .travis.yml
  • nextflow_config - Found nf-schema plugin
  • nextflow_config - Config variable found: manifest.name
  • nextflow_config - Config variable found: manifest.nextflowVersion
  • nextflow_config - Config variable found: manifest.description
  • nextflow_config - Config variable found: manifest.version
  • nextflow_config - Config variable found: manifest.homePage
  • nextflow_config - Config variable found: timeline.enabled
  • nextflow_config - Config variable found: trace.enabled
  • nextflow_config - Config variable found: report.enabled
  • nextflow_config - Config variable found: dag.enabled
  • nextflow_config - Config variable found: process.cpus
  • nextflow_config - Config variable found: process.memory
  • nextflow_config - Config variable found: process.time
  • nextflow_config - Config variable found: params.outdir
  • nextflow_config - Config variable found: params.input
  • nextflow_config - Config variable found: validation.help.enabled
  • nextflow_config - Config variable found: manifest.mainScript
  • nextflow_config - Config variable found: timeline.file
  • nextflow_config - Config variable found: trace.file
  • nextflow_config - Config variable found: report.file
  • nextflow_config - Config variable found: dag.file
  • nextflow_config - Config variable found: validation.help.beforeText
  • nextflow_config - Config variable found: validation.help.afterText
  • nextflow_config - Config variable found: validation.help.command
  • nextflow_config - Config variable found: validation.summary.beforeText
  • nextflow_config - Config variable found: validation.summary.afterText
  • nextflow_config - Config variable (correctly) not found: params.nf_required_version
  • nextflow_config - Config variable (correctly) not found: params.container
  • nextflow_config - Config variable (correctly) not found: params.singleEnd
  • nextflow_config - Config variable (correctly) not found: params.igenomesIgnore
  • nextflow_config - Config variable (correctly) not found: params.name
  • nextflow_config - Config variable (correctly) not found: params.enable_conda
  • nextflow_config - Config variable (correctly) not found: params.max_cpus
  • nextflow_config - Config variable (correctly) not found: params.max_memory
  • nextflow_config - Config variable (correctly) not found: params.max_time
  • nextflow_config - Config variable (correctly) not found: params.validationFailUnrecognisedParams
  • nextflow_config - Config variable (correctly) not found: params.validationLenientMode
  • nextflow_config - Config variable (correctly) not found: params.validationSchemaIgnoreParams
  • nextflow_config - Config variable (correctly) not found: params.validationShowHiddenParams
  • nextflow_config - Config timeline.enabled had correct value: true
  • nextflow_config - Config report.enabled had correct value: true
  • nextflow_config - Config trace.enabled had correct value: true
  • nextflow_config - Config dag.enabled had correct value: true
  • nextflow_config - Config manifest.name began with nf-core/
  • nextflow_config - Config variable manifest.homePage began with https://github.com/nf-core/
  • nextflow_config - Config dag.file ended with .html
  • nextflow_config - Config variable manifest.nextflowVersion started with >= or !>=
  • nextflow_config - Config manifest.version ends in dev: 2.1.0dev
  • nextflow_config - Config params.custom_config_version is set to master
  • nextflow_config - Config params.custom_config_base is set to https://raw.githubusercontent.com/nf-core/configs/master
  • nextflow_config - Lines for loading custom profiles found
  • nextflow_config - nextflow.config contains configuration profile test
  • nextflow_config - Config default value correct: params.taxa_classification_tool= mmseqs2
  • nextflow_config - Config default value correct: params.taxa_classification_mmseqs_compressed= 0
  • nextflow_config - Config default value correct: params.taxa_classification_mmseqs_db_id= Kalamari
  • nextflow_config - Config default value correct: params.taxa_classification_mmseqs_taxonomy_searchtype= 2
  • nextflow_config - Config default value correct: params.taxa_classification_mmseqs_taxonomy_lcaranks= kingdom,phylum,class,order,family,genus,species
  • nextflow_config - Config default value correct: params.taxa_classification_mmseqs_taxonomy_taxlineage= 1
  • nextflow_config - Config default value correct: params.taxa_classification_mmseqs_taxonomy_sensitivity= 5.0
  • nextflow_config - Config default value correct: params.taxa_classification_mmseqs_taxonomy_orffilters= 2.0
  • nextflow_config - Config default value correct: params.taxa_classification_mmseqs_taxonomy_lcamode= 3
  • nextflow_config - Config default value correct: params.taxa_classification_mmseqs_taxonomy_votemode= 1
  • nextflow_config - Config default value correct: params.annotation_tool= pyrodigal
  • nextflow_config - Config default value correct: params.annotation_bakta_db_downloadtype= full
  • nextflow_config - Config default value correct: params.annotation_bakta_mincontiglen= 1
  • nextflow_config - Config default value correct: params.annotation_bakta_translationtable= 11
  • nextflow_config - Config default value correct: params.annotation_bakta_gram= ?
  • nextflow_config - Config default value correct: params.annotation_prokka_kingdom= Bacteria
  • nextflow_config - Config default value correct: params.annotation_prokka_gcode= 11
  • nextflow_config - Config default value correct: params.annotation_prokka_mincontiglen= 1
  • nextflow_config - Config default value correct: params.annotation_prokka_evalue= 1e-06
  • nextflow_config - Config default value correct: params.annotation_prokka_coverage= 80
  • nextflow_config - Config default value correct: params.annotation_prokka_compliant= true
  • nextflow_config - Config default value correct: params.annotation_prodigal_transtable= 11
  • nextflow_config - Config default value correct: params.annotation_pyrodigal_transtable= 11
  • nextflow_config - Config default value correct: params.annotation_pyrodigal_usespecialstopcharacter= false
  • nextflow_config - Config default value correct: params.protein_annotation_tool= InterProScan
  • nextflow_config - Config default value correct: params.protein_annotation_interproscan_db_url= https://ftp.ebi.ac.uk/pub/software/unix/iprscan/5/5.72-103.0/interproscan-5.72-103.0-64-bit.tar.gz
  • nextflow_config - Config default value correct: params.protein_annotation_interproscan_applications= PANTHER,ProSiteProfiles,ProSitePatterns,Pfam
  • nextflow_config - Config default value correct: params.amp_ampir_model= precursor
  • nextflow_config - Config default value correct: params.amp_ampir_minlength= 10
  • nextflow_config - Config default value correct: params.amp_ampcombi_db_id= DRAMP
  • nextflow_config - Config default value correct: params.amp_ampcombi_parsetables_cutoff= 0.6
  • nextflow_config - Config default value correct: params.amp_ampcombi_parsetables_aalength= 120
  • 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
  • nextflow_config - Config default value correct: params.amp_ampcombi_parsetables_amplify= .amplify.tsv
  • nextflow_config - Config default value correct: params.amp_ampcombi_parsetables_macrel= .macrel.prediction
  • nextflow_config - Config default value correct: params.amp_ampcombi_parsetables_hmmsearch= .hmmer_hmmsearch.txt
  • nextflow_config - Config default value correct: params.amp_ampcombi_cluster_covmode= 0.0
  • nextflow_config - Config default value correct: params.amp_ampcombi_cluster_sensitivity= 4.0
  • nextflow_config - Config default value correct: params.amp_ampcombi_cluster_minmembers= 0
  • nextflow_config - Config default value correct: params.amp_ampcombi_cluster_mode= 1.0
  • nextflow_config - Config default value correct: params.amp_ampcombi_cluster_coverage= 0.8
  • nextflow_config - Config default value correct: params.amp_ampcombi_cluster_seqid= 0.4
  • nextflow_config - Config default value correct: params.arg_amrfinderplus_identmin= -1.0
  • nextflow_config - Config default value correct: params.arg_amrfinderplus_coveragemin= 0.5
  • nextflow_config - Config default value correct: params.arg_amrfinderplus_translationtable= 11
  • nextflow_config - Config default value correct: params.arg_deeparg_db_version= 2
  • nextflow_config - Config default value correct: params.arg_deeparg_model= LS
  • nextflow_config - Config default value correct: params.arg_deeparg_minprob= 0.8
  • nextflow_config - Config default value correct: params.arg_deeparg_alignmentevalue= 1e-10
  • nextflow_config - Config default value correct: params.arg_deeparg_alignmentidentity= 50
  • 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
  • nextflow_config - Config default value correct: params.arg_fargene_translationformat= pearson
  • nextflow_config - Config default value correct: params.arg_rgi_alignmenttool= BLAST
  • nextflow_config - Config default value correct: params.arg_rgi_data= NA
  • nextflow_config - Config default value correct: params.arg_rgi_split_prodigal_jobs= true
  • nextflow_config - Config default value correct: params.arg_abricate_db_id= ncbi
  • nextflow_config - Config default value correct: params.arg_abricate_minid= 80
  • nextflow_config - Config default value correct: params.arg_abricate_mincov= 80
  • nextflow_config - Config default value correct: params.arg_hamronization_summarizeformat= tsv
  • nextflow_config - Config default value correct: params.bgc_mincontiglength= 3000
  • nextflow_config - Config default value correct: params.bgc_antismash_contigminlength= 3000
  • nextflow_config - Config default value correct: params.bgc_antismash_hmmdetectionstrictness= relaxed
  • nextflow_config - Config default value correct: params.bgc_antismash_taxon= bacteria
  • nextflow_config - Config default value correct: params.bgc_deepbgc_score= 0.5
  • nextflow_config - Config default value correct: params.bgc_deepbgc_mergemaxproteingap= 0
  • nextflow_config - Config default value correct: params.bgc_deepbgc_mergemaxnuclgap= 0
  • nextflow_config - Config default value correct: params.bgc_deepbgc_minnucl= 1
  • nextflow_config - Config default value correct: params.bgc_deepbgc_minproteins= 1
  • nextflow_config - Config default value correct: params.bgc_deepbgc_mindomains= 1
  • nextflow_config - Config default value correct: params.bgc_deepbgc_minbiodomains= 0
  • nextflow_config - Config default value correct: params.bgc_deepbgc_classifierscore= 0.5
  • nextflow_config - Config default value correct: params.bgc_gecco_cds= 3
  • nextflow_config - Config default value correct: params.bgc_gecco_pfilter= 1e-09
  • nextflow_config - Config default value correct: params.bgc_gecco_threshold= 0.8
  • nextflow_config - Config default value correct: params.bgc_gecco_edgedistance= 0
  • nextflow_config - Config default value correct: params.custom_config_version= master
  • nextflow_config - Config default value correct: params.custom_config_base= https://raw.githubusercontent.com/nf-core/configs/master
  • nextflow_config - Config default value correct: params.publish_dir_mode= copy
  • nextflow_config - Config default value correct: params.max_multiqc_email_size= 25.MB
  • nextflow_config - Config default value correct: params.validate_params= true
  • nextflow_config - Config default value correct: params.pipelines_testdata_base_path= https://raw.githubusercontent.com/nf-core/test-datasets/
  • files_unchanged - .gitattributes matches the template
  • files_unchanged - .prettierrc.yml matches the template
  • files_unchanged - CODE_OF_CONDUCT.md matches the template
  • files_unchanged - LICENSE matches the template
  • files_unchanged - .github/.dockstore.yml matches the template
  • files_unchanged - .github/CONTRIBUTING.md matches the template
  • files_unchanged - .github/ISSUE_TEMPLATE/bug_report.yml matches the template
  • files_unchanged - .github/ISSUE_TEMPLATE/config.yml matches the template
  • files_unchanged - .github/ISSUE_TEMPLATE/feature_request.yml matches the template
  • files_unchanged - .github/PULL_REQUEST_TEMPLATE.md matches the template
  • files_unchanged - .github/workflows/branch.yml matches the template
  • files_unchanged - .github/workflows/linting_comment.yml matches the template
  • files_unchanged - .github/workflows/linting.yml matches the template
  • files_unchanged - assets/email_template.html matches the template
  • files_unchanged - assets/email_template.txt matches the template
  • files_unchanged - assets/sendmail_template.txt matches the template
  • files_unchanged - assets/nf-core-funcscan_logo_light.png matches the template
  • files_unchanged - docs/images/nf-core-funcscan_logo_light.png matches the template
  • files_unchanged - docs/images/nf-core-funcscan_logo_dark.png matches the template
  • files_unchanged - docs/README.md matches the template
  • files_unchanged - .gitignore matches the template
  • files_unchanged - .prettierignore matches the template
  • actions_awstest - '.github/workflows/awstest.yml' is triggered correctly
  • actions_awsfulltest - .github/workflows/awsfulltest.yml is triggered correctly
  • actions_awsfulltest - .github/workflows/awsfulltest.yml does not use -profile test
  • readme - README Nextflow minimum version badge matched config. Badge: 24.04.2, Config: 24.04.2
  • readme - README Zenodo placeholder was replaced with DOI.
  • pipeline_todos - No TODO strings found
  • plugin_includes - No wrong validation plugin imports have been found
  • pipeline_name_conventions - Name adheres to nf-core convention
  • template_strings - Did not find any Jinja template strings (0 files)
  • schema_lint - Schema lint passed
  • schema_lint - Schema title + description lint passed
  • schema_lint - Input mimetype lint passed: 'text/csv'
  • schema_params - Schema matched params returned from nextflow config
  • system_exit - No System.exit calls found
  • actions_schema_validation - Workflow validation passed: branch.yml
  • actions_schema_validation - Workflow validation passed: awsfulltest.yml
  • actions_schema_validation - Workflow validation passed: download_pipeline.yml
  • actions_schema_validation - Workflow validation passed: awstest.yml
  • actions_schema_validation - Workflow validation passed: ci.yml
  • actions_schema_validation - Workflow validation passed: template_version_comment.yml
  • actions_schema_validation - Workflow validation passed: linting.yml
  • actions_schema_validation - Workflow validation passed: linting_comment.yml
  • actions_schema_validation - Workflow validation passed: clean-up.yml
  • actions_schema_validation - Workflow validation passed: fix-linting.yml
  • actions_schema_validation - Workflow validation passed: release-announcements.yml
  • merge_markers - No merge markers found in pipeline files
  • modules_json - Only installed modules found in modules.json
  • multiqc_config - assets/multiqc_config.yml found and not ignored.
  • multiqc_config - assets/multiqc_config.yml contains report_section_order
  • multiqc_config - assets/multiqc_config.yml contains export_plots
  • multiqc_config - assets/multiqc_config.yml contains report_comment
  • multiqc_config - assets/multiqc_config.yml follows the ordering scheme of the minimally required plugins.
  • multiqc_config - assets/multiqc_config.yml contains a matching 'report_comment'.
  • multiqc_config - assets/multiqc_config.yml contains 'export_plots: true'.
  • modules_structure - modules directory structure is correct 'modules/nf-core/TOOL/SUBTOOL'
  • base_config - conf/base.config found and not ignored.
  • base_config - GUNZIP found in conf/base.config and Nextflow scripts.
  • 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.
  • base_config - AMRFINDERPLUS_RUN found in conf/base.config and Nextflow scripts.
  • base_config - DEEPARG_DOWNLOADDATA found in conf/base.config and Nextflow scripts.
  • base_config - DEEPARG_PREDICT found in conf/base.config and Nextflow scripts.
  • base_config - FARGENE found in conf/base.config and Nextflow scripts.
  • base_config - RGI_MAIN found in conf/base.config and Nextflow scripts.
  • base_config - AMPIR found in conf/base.config and Nextflow scripts.
  • base_config - AMPLIFY_PREDICT found in conf/base.config and Nextflow scripts.
  • base_config - AMP_HMMER_HMMSEARCH found in conf/base.config and Nextflow scripts.
  • base_config - MACREL_CONTIGS found in conf/base.config and Nextflow scripts.
  • base_config - BGC_HMMER_HMMSEARCH found in conf/base.config and Nextflow scripts.
  • 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.
  • base_config - DEEPBGC_PIPELINE found in conf/base.config and Nextflow scripts.
  • base_config - GECCO_RUN found in conf/base.config and Nextflow scripts.
  • base_config - HAMRONIZATION_ABRICATE found in conf/base.config and Nextflow scripts.
  • base_config - HAMRONIZATION_AMRFINDERPLUS found in conf/base.config and Nextflow scripts.
  • base_config - HAMRONIZATION_DEEPARG found in conf/base.config and Nextflow scripts.
  • base_config - HAMRONIZATION_RGI found in conf/base.config and Nextflow scripts.
  • base_config - HAMRONIZATION_FARGENE found in conf/base.config and Nextflow scripts.
  • base_config - HAMRONIZATION_SUMMARIZE found in conf/base.config and Nextflow scripts.
  • base_config - ARGNORM_DEEPARG found in conf/base.config and Nextflow scripts.
  • base_config - ARGNORM_ABRICATE found in conf/base.config and Nextflow scripts.
  • base_config - ARGNORM_AMRFINDERPLUS found in conf/base.config and Nextflow scripts.
  • base_config - AMPCOMBI2_PARSETABLES found in conf/base.config and Nextflow scripts.
  • base_config - AMPCOMBI2_CLUSTER found in conf/base.config and Nextflow scripts.
  • base_config - INTERPROSCAN_DATABASE found in conf/base.config and Nextflow scripts.
  • modules_config - conf/modules.config found and not ignored.
  • modules_config - MULTIQC found in conf/modules.config and Nextflow scripts.
  • modules_config - GUNZIP found in conf/modules.config and Nextflow scripts.
  • modules_config - MMSEQS_DATABASES found in conf/modules.config and Nextflow scripts.
  • modules_config - MMSEQS_CREATEDB found in conf/modules.config and Nextflow scripts.
  • modules_config - MMSEQS_TAXONOMY found in conf/modules.config and Nextflow scripts.
  • modules_config - MMSEQS_CREATETSV found in conf/modules.config and Nextflow scripts.
  • modules_config - SEQKIT_SEQ_LENGTH found in conf/modules.config and Nextflow scripts.
  • modules_config - SEQKIT_SEQ_FILTER found in conf/modules.config and Nextflow scripts.
  • modules_config - INTERPROSCAN_DATABASE found in conf/modules.config and Nextflow scripts.
  • modules_config - INTERPROSCAN 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.
  • modules_config - PYRODIGAL found in conf/modules.config and Nextflow scripts.
  • modules_config - ABRICATE_RUN found in conf/modules.config and Nextflow scripts.
  • modules_config - AMRFINDERPLUS_UPDATE found in conf/modules.config and Nextflow scripts.
  • modules_config - AMRFINDERPLUS_RUN found in conf/modules.config and Nextflow scripts.
  • 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 - ARGNORM_ABRICATE found in conf/modules.config and Nextflow scripts.
  • modules_config - ARGNORM_AMRFINDERPLUS found in conf/modules.config and Nextflow scripts.
  • modules_config - ARGNORM_DEEPARG 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 - AMP_DATABASE_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: 3.2.0

Run details

  • nf-core/tools version 3.2.0
  • Run at 2025-02-11 10:02:29

@Darcy220606 Darcy220606 marked this pull request as draft December 9, 2024 15:32
Base automatically changed from nf-core-template-merge-3.0.2 to dev December 18, 2024 12:51
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Warning

Newer version of the nf-core template is available.

Your pipeline is using an old version of the nf-core template: 3.1.0.
Please update your pipeline to the latest version.

For more documentation on how to update your pipeline, please see the nf-core documentation and Synchronisation documentation.

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@nf-core-bot fix linting

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@nf-core-bot fix linting

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Also fixes issue number #434

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Main issue is I don't like the use of function, we already use functon in funcscan in a broad sense... can you refine what exactly we are using interproscan for and then we can adjust the naming

@Darcy220606 Darcy220606 requested a review from jfy133 January 22, 2025 08:50
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Almost there!

Also missing README update

@@ -9,6 +9,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0

- [#421](https://github.com/nf-core/funcscan/pull/421) Updated to nf-core template 3.0.2. (by @jfy133)
- [#427](https://github.com/nf-core/funcscan/pull/427) AMPcombi now can use multiple other databases for classifications. (by @darcy220606)
- [#428](https://github.com/nf-core/funcscan/pull/428) Added InterProScan annotation workflow to the pipeline. The results are coupled to AMPcombi final table. (by @darcy220606)
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Suggested change
- [#428](https://github.com/nf-core/funcscan/pull/428) Added InterProScan annotation workflow to the pipeline. The results are coupled to AMPcombi final table. (by @darcy220606)
- [#428](https://github.com/nf-core/funcscan/pull/428) Added InterProScan protein annotation workflow to the pipeline. (by @darcy220606)

@Darcy220606 Darcy220606 requested review from jfy133 and jasmezz February 2, 2025 15:13
@Darcy220606 Darcy220606 linked an issue Feb 2, 2025 that may be closed by this pull request
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Great work overall 💪

Now that you introduce the protein_annotation workflow, I wonder if we should rename the DNA-level annotation workflow (of pyrodigal, bakta etc.). Maybe to contig_annotation, cds_annotation, or orf_annotation?

withName: SEQKIT_SEQ_FILTER {
ext.prefix = { "${meta.id}_cleaned.faa" }
publishDir = [
path: { "${params.outdir}/protein_annotation/interproscan/" },
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Are we sure we want the output in ${params.outdir}/protein_annotation/interproscan/ and not in ${params.outdir}/annotation/interproscan/? I'd prefer the latter, to have it all in one place regardless of DNA (pyrodigal etc.) or protein annotation (interproscan). I think it's more intuitive to search for any annotation results in a single folder.

If not, what do you think of renaming the annotation output folder to contig_annotation?

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The other annotation tools in the annotation workflow are annotating CDS which also can be proteins. I would leave the annotation workflow as is because thats the baseline annotation step of the pipeline. This annotation step is more of an accessory annotation to the pipeline if the user wants more information from diff DB and (1) its technically not correct protein_annotation because those are nnot necessary proteins and (2) the plan is that we add more to this workflow (e.g. the functional annotation of those CDS) so protein annotation will no longer be valid.

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The ouput im not sure if its a good idea to add it in the same folder because those are two diff workflows

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Okay. No strong opinion from my side. I still don't find the naming super intuitive, but it can be. Or why not cds_annotation for the CDS tools (prokka etc.) versus protein_annotation (interproscan)?

@Darcy220606 Darcy220606 requested a review from jasmezz February 6, 2025 06:52
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I'll check if it's feasible to test the most recent interproscan db on our server in order to update it here. If not, then go ahead as is. 👍

},
"protein_annotation_interproscan_disableresidueannottsv": {
"type": "boolean",
"help_text": "This disables the addition of the annotations assigned according to the databases activated to the final `<sample>_interproscan.tsv` file. Turning this on will remove the annotations from the final table. It is not recommended to use this option, as it will cause a run failure because the format of the resulting files will no longer be adequate for integration in the final summary tables. Currently, only applicable for AMPcombi2. \n\nFor more information about this flag see the tool [documentation](https://interproscan-docs.readthedocs.io/en/latest/HowToRun.html).\n\n> Modifies tool parameter(s):\n> - InterProScan: `--enable-tsv-residue-annot`\n",
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They cannot add it by ext.arg :D Everything that should be ext.arg is a pipeline parameter. If we don't offer it, the user cannot use it. That's why we add as much as necessary and leave out everything that shouldn't be touched (or is too irrelevant).

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Things to do before merge:

@Darcy220606 Darcy220606 requested a review from jasmezz February 10, 2025 10:33
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Things to do before merge:

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Just a few things. I will pull the updated ampcombi module as well so we are ready to go :)

},
"protein_annotation_interproscan_disableresidueannottsv": {
"type": "boolean",
"help_text": "This disables the addition of the annotations assigned according to the databases activated to the final `<sample>_interproscan.tsv` file. Turning this on will remove the annotations from the final table. It is not recommended to use this option, as it will cause a run failure because the format of the resulting files will no longer be adequate for integration in the final summary tables. Currently, only applicable for AMPcombi2. \n\nFor more information about this flag see the tool [documentation](https://interproscan-docs.readthedocs.io/en/latest/HowToRun.html).\n\n> Modifies tool parameter(s):\n> - InterProScan: `--enable-tsv-residue-annot`\n",
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We just discussed on Slack (here), that it might be safer to throw a warning in the AMP workflow, if the user changes this interproscan flag. Because we shouldn't expect them to read the whole params page or give them the pipeline-supported option to switch this flag and thereby crash the pipeline 🙈

@Darcy220606 Darcy220606 merged commit 8c339e4 into dev Feb 11, 2025
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@Darcy220606 Darcy220606 deleted the add_interproscan_to_amp branch February 11, 2025 11:30
@jasmezz jasmezz mentioned this pull request Feb 13, 2025
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