feature: added BiG-SLiCE analysis tool to pipeline - #7
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Pull request overview
Adds BiG-SLiCE as an alternative clustering step to BiG-SCAPE in the antiSMASH pipeline, including new module wiring, parameters, schema updates, and documentation.
Changes:
- Introduce a new
BIGSLICENextflow module and integrate it into the main workflow (mutually exclusive with BiG-SCAPE). - Rename
--run_bigscapeto--bigscape_runand add new--bigslice_*parameters across config + schema. - Update docs/README/citations to reflect BiG-SLiCE support and outputs.
Reviewed changes
Copilot reviewed 17 out of 17 changed files in this pull request and generated 6 comments.
Show a summary per file
| File | Description |
|---|---|
| workflows/clystere.nf | Adds BiG-SLiCE module inclusion, mutually-exclusive flag guard, and conditional BIGSLICE execution. |
| nextflow_schema.json | Renames BiG-SCAPE run flag, adds BiG-SLiCE option group, and enforces mutual exclusion in schema. |
| nextflow.config | Renames BiG-SCAPE run param, adds BiG-SLiCE params, bumps pipeline version. |
| modules/local/bigslice/main.nf | New BiG-SLiCE process implementation (models bootstrap + run + optional archive). |
| modules/local/bigslice/environment.yml | New conda environment definition for BiG-SLiCE. |
| modules/local/bigscape/environment.yml | Pins BiG-SCAPE conda version for reproducibility. |
| main.nf | Points main entry to workflows/clystere. |
| docs/usage.md | Documents running BiG-SCAPE with new flag name and adds BiG-SLiCE usage example. |
| docs/parameters.md | Documents renamed BiG-SCAPE flag and adds BiG-SLiCE parameter table + notes. |
| docs/output.md | Documents bigslice/ output directory and updates BiG-SCAPE flag name. |
| docs/installation.md | Reformats container engine installation section (tabbed UI). |
| docs/index.md | Updates overview text and diagram to include BiG-SLiCE. |
| conf/test_full.config | Updates test profile param name for BiG-SCAPE run flag. |
| conf/test.config | Updates test profile param name for BiG-SCAPE run flag. |
| conf/modules.config | Adds BIGSLICE module ext.args + publishDir configuration. |
| README.md | Updates feature list, params, outputs, and citations section for BiG-SLiCE + renamed flag. |
| CITATIONS.md | Adds BiG-SLiCE citation entry. |
Comments suppressed due to low confidence (1)
workflows/clystere.nf:92
- This workflow is still exported as
ANTISMASH_BIGSCAPE, but it now conditionally runs either BiG-SCAPE or BiG-SLiCE. Consider renaming it to a tool-agnostic name (or add a short comment explaining why the legacy name is kept) to reduce confusion for future maintenance.
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| === Apptainer | ||
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| Follow the [Apptainer installation guide](https://apptainer.org/docs/user/latest/quick_start.html). Verify with | ||
| `apptainer --version`. | ||
| ```text | ||
| Follow the [Apptainer installation guide](https://apptainer.org/docs/user/latest/quick_start.html). Verify with | ||
| `apptainer --version`. | ||
| ``` |
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MkDocs Material tabbed syntax requires quoted tab titles (e.g. === "Apptainer") and the tab body should not be wrapped in a text code fence unless you intentionally want to disable Markdown/link rendering. Adjust the tab markup so this section renders as intended.
| === Conda | ||
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| Install [Miniconda](https://docs.conda.io/en/latest/miniconda.html) or Mamba. All tool environments are managed | ||
| per-process by Nextflow. | ||
| ```text | ||
| Install [Miniconda](https://docs.conda.io/en/latest/miniconda.html) or Mamba. All tool environments are managed | ||
| per-process by Nextflow. | ||
| ``` |
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MkDocs Material tabbed blocks use === "Conda" (quoted) and indented Markdown content. The current === Conda + fenced text block likely breaks tab rendering and prevents links from rendering as links.
| // BiG-SCAPE | ||
| // ────────────────────────────────────────────── | ||
| run_bigscape = false | ||
| bigscape_run = false |
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Renaming run_bigscape to bigscape_run is a breaking CLI change (existing command lines using --run_bigscape will silently stop enabling BiG-SCAPE). Consider keeping run_bigscape as a deprecated alias (mapped to bigscape_run) and/or bumping the major pipeline version to reflect the breaking change.
| description = 'Nextflow pipeline for antiSMASH + BiG-SCAPE BGC analysis' | ||
| mainScript = 'main.nf' | ||
| nextflowVersion = '!>=23.04.0' | ||
| version = '1.0.0' | ||
| version = '1.1.0' |
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The manifest description still only mentions BiG-SCAPE even though this release adds BiG-SLiCE. Update the description to reflect the new functionality; also consider whether the version bump is appropriate given the breaking --run_bigscape → --bigscape_run rename.
| B --> E[BIGSCAPE<br/>GCF clustering] | ||
| B --> F[BIGSLICE<br/>GCF clustering] |
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The overview diagram shows both BIGSCAPE and BIGSLICE running from antiSMASH, but the pipeline enforces these options as mutually exclusive. Consider adjusting the Mermaid graph to communicate that only one of these clustering steps runs per execution (e.g., alternative branch/annotation).
| B --> E[BIGSCAPE<br/>GCF clustering] | |
| B --> F[BIGSLICE<br/>GCF clustering] | |
| B --> G{Optional GCF clustering<br/>choose one} | |
| G --> E[BIGSCAPE<br/>GCF clustering] | |
| G --> F[BIGSLICE<br/>GCF clustering] |
| === Docker | ||
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| Follow the [Docker installation guide](https://docs.docker.com/get-docker/). Verify with `docker --version`. | ||
| ```text | ||
| Follow the [Docker installation guide](https://docs.docker.com/get-docker/). Verify with `docker --version`. | ||
| ``` |
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MkDocs Material tabbed syntax requires quoted tab titles (e.g. === "Docker") and the tab body can be normal Markdown. As written (=== Docker plus fenced text blocks), the tabs may not render and the links become non-clickable; update the syntax/indentation accordingly.
Added tool BiG-SLiCE alongside BiG-SCAPE for clustering analysis of Antismash results.