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Command-line reference#

Every command of the fasta-lake executable, generated from the code. The runner for a whole study, fasta-lake run, has its own page.

fasta-lake#

FASTA Lake: Sample-specific protein database construction for metaproteomics.

Usage:

fasta-lake [OPTIONS] COMMAND [ARGS]...

Options:

  --version  Show the version and exit.
  --help     Show this message and exit.

Subcommands

  • analyze-study: Export AnnData and run AlphaPeptTools QC, log2 PCA and optional replicate CV.
  • annotate: Annotate selected proteins and inspect explicit annotation gaps.
  • contaminants: Inspect or apply the contaminant database (v5.1).
  • entrapment: Generate, inject and measure entrapment sequences.
  • evidence-lake: Stage 1: Create evidence lake from peptide predictions.
  • explore-study: EXPERIMENTAL: inspect annotated signal, coverage, diversity and CLR PCA.
  • export: Prepare a FASTA for a specific search engine.
  • extract-chunked: Build evidence in bounded reference pieces and merge before inference.
  • extract-sample: Stage 2: Extract per-sample protein database.
  • group-study: Group and quantify completed Sage searches (fasta-lake group-study --help).
  • init: Generate an example fastalake.json configuration.
  • lake-inspect: Query a lake provenance sidecar produced by lake-merge.
  • lake-merge: Merge multiple source FASTAs into one lake with field-level annotation merge (v5.2).
  • molecular: Prepare TPM inputs, select exact proteins and compare matched searches.
  • network: Export peptide memberships and render experimental CKG network views.
  • plan-resources: Show laptop planning choices without starting a workflow.
  • quantify-study: Quantify completed study groups and retain peptide/ion support diagnostics.
  • resources: Choose, size and download public reference databases and model weights.
  • run: Run the whole study from an acquisition manifest (fasta-lake run --help).
  • taxonomy: Export Unipept queries and plot its saved taxonomic assignments locally.
  • validate: Validate a FASTA Lake JSON configuration file.

fasta-lake analyze-study#

Export AnnData and run AlphaPeptTools QC, log2 PCA and optional replicate CV.

Usage:

fasta-lake analyze-study [OPTIONS]

Options:

  --groups DIRECTORY          [required]
  --out PATH                  [required]
  --quantification DIRECTORY  Completed quantify-study output; defaults to the
                              original group sums.
  --metadata FILE             TSV with one unique sample row per acquisition;
                              order is matched by name.
  --replicate-column TEXT     Metadata column defining replicate sets; blank
                              excludes.
  --pca-samples FILE          Optional sample roster, one acquisition
                              identifier per line.
  --pca-features FILE         Optional fixed group roster; all must be
                              complete within the PCA samples.
  --help                      Show this message and exit.

fasta-lake annotate#

Annotate selected proteins and inspect explicit annotation gaps.

Usage:

fasta-lake annotate [OPTIONS] COMMAND [ARGS]...

Options:

  --help  Show this message and exit.

Subcommands

  • eggnog: Run eggNOG-mapper 2.1.12 with versioned inputs and complete coverage records.
  • embed-unknown: Embed the recorded unknown roster; preserve every residue through windowing.
  • study: Annotate a study's verified reporting representatives, with optional ESM-C.

fasta-lake annotate eggnog#

Run eggNOG-mapper 2.1.12 with versioned inputs and complete coverage records.

Usage:

fasta-lake annotate eggnog [OPTIONS]

Options:

  --fasta FILE                    [required]
  --out PATH                      [required]
  --emapper FILE                  [required]
  --emapper-python FILE
  --data-dir DIRECTORY            [required]
  --threads INTEGER RANGE         [default: 2; x>=1]
  --sensitivity [sensitive|more-sensitive|very-sensitive]
                                  [default: sensitive]
  --tax-scope TEXT                [default: auto]
  --max-proteins INTEGER RANGE    [default: 100000; x>=1]
  --unknown-field [KEGG_ko|EC|GOs|PFAMs|COG_category|Description]
                                  Unknown means no value in any selected
                                  field; repeat to choose fields.
  --embed-unknown                 After annotation, generate local ESM-C
                                  vectors for its unknown proteins.
  --model [esmc_300m|esmc_600m]
  --checkpoint FILE               Explicit local model weights; resources
                                  download installs them separately.
  --device [cpu|cuda]
  --max-residues INTEGER RANGE    [1<=x<=2046]
  --help                          Show this message and exit.

fasta-lake annotate embed-unknown#

Embed the recorded unknown roster; preserve every residue through windowing.

Usage:

fasta-lake annotate embed-unknown [OPTIONS]

Options:

  --annotation DIRECTORY         [required]
  --out PATH                     [required]
  --model [esmc_300m|esmc_600m]  [default: esmc_300m]
  --device [cpu|cuda]            [default: cpu]
  --threads INTEGER RANGE        [default: 2; x>=1]
  --max-residues INTEGER RANGE   [default: 1024; 1<=x<=2046]
  --checkpoint FILE              Explicit local model weight file; analysis
                                 never downloads weights.
  --help                         Show this message and exit.

fasta-lake annotate study#

Annotate a study's verified reporting representatives, with optional ESM-C.

Usage:

fasta-lake annotate study [OPTIONS]

Options:

  --groups DIRECTORY  [required]
  --settings FILE     [required]
  --out PATH          [required]
  --help              Show this message and exit.

fasta-lake contaminants#

Inspect or apply the contaminant database (v5.1).

FastaLake bundles a minimal contaminant accession list (keratins, trypsin, BSA, caseins, IgGs, etc.). Proteins matching this list are tagged with a CON_ prefix; downstream FDR accounting can exclude them via fasta_lake.contaminants.exclude_contaminants().

Usage:

fasta-lake contaminants [OPTIONS] COMMAND [ARGS]...

Options:

  --help  Show this message and exit.

Subcommands

  • list: List the bundled contaminant accessions.
  • tag: Scan a FASTA, prefix CON_ on headers matching the contaminant list.

fasta-lake contaminants list#

List the bundled contaminant accessions.

Usage:

fasta-lake contaminants list [OPTIONS]

Options:

  --help  Show this message and exit.

fasta-lake contaminants tag#

Scan a FASTA, prefix CON_ on headers matching the contaminant list.

Usage:

fasta-lake contaminants tag [OPTIONS]

Options:

  -i, --input PATH       Input FASTA to scan and tag.  [required]
  -o, --output PATH      New output FASTA with CON_-prefixed headers; existing
                         files are refused.  [required]
  --contaminant-db PATH  Optional extra contaminant list (text: 1
                         accession/line, or FASTA).
  -v, --verbose
  --help                 Show this message and exit.

fasta-lake entrapment#

Generate, inject and measure entrapment sequences.

Entrapment gives an FDR estimate independent of target-decoy: sequences known to be absent from the sample are put into the database, and anything that matches them is a false discovery.

WHERE entrapment is injected decides WHAT is being measured. Four points exist, earliest (hardest to survive) first: prelake into the input lake BEFORE the cohort evidence filter. Faces every curation step: the fullest construction test. prebuild onto the clustered lake, then RE-CLUSTERED at 97%, so entrapment must also survive clustering. preselect onto the clustered lake, no re-clustering (DEFAULT). Must be nominated by the sample's own de novo peptides. appended onto the finished per-sample database AFTER parsimony, entering untested. Measures SEARCH error, not construction.

prebuild and preselect are NOT the same stage under two names. All are legitimate, none are the same quantity, so these commands record the stage in every output and refuse to pool across stages or classes.

PREFIXES are not uniform in this repo: ENTRAP_PFUR_/ENTRAP_SHUF_/..., but also ENTRAPHUMAN_ (SIHUMIx) and ENTRAPNN_ (near-neighbour), which do NOT match ENTRAP_. A wrong pattern scores entrapment as target and drives the FDP to zero silently. The default pattern is the common denominator ENTRAP; check any lake with fasta-lake entrapment prefixes <fasta>.

Typical run: fasta-lake entrapment classes fasta-lake entrapment generate --class shuffled --source lake.fasta \ -o entrap.fasta fasta-lake entrapment inject -d lake.fasta -e entrap.fasta \ -o augmented.fasta --class shuffled # ... run the pipeline on augmented.fasta, then search ... fasta-lake entrapment fdp --results-dir results/ --target-fasta lake.fasta \ -o fdp/

Usage:

fasta-lake entrapment [OPTIONS] COMMAND [ARGS]...

Options:

  --help  Show this message and exit.

Subcommands

  • classes: List entrapment classes with their difficulty and interpretation.
  • fdp: Compute the FDP from search results, with n, median, IQR and bootstrap CI.
  • generate: Produce an entrapment FASTA, deterministically.
  • inject: Concatenate entrapment into a database and write a manifest.
  • prefixes: Report the entrapment prefixes actually present in a FASTA.
  • prepare: Generate + inject entrapment as configured by a fastalake.json.

fasta-lake entrapment classes#

List entrapment classes with their difficulty and interpretation.

The classes do NOT measure the same thing. Read the caveats before comparing any two numbers produced with different classes.

Usage:

fasta-lake entrapment classes [OPTIONS]

Options:

  --json  Emit the full registry as JSON.
  --help  Show this message and exit.

fasta-lake entrapment fdp#

Compute the FDP from search results, with n, median, IQR and bootstrap CI.

Reports raw and conserved-corrected FDP together, and states how many samples were evaluable. A sample with no entrapment sequences in its searched database has an UNDEFINED FDP, not a zero, and is excluded rather than counted as 0.0.

Usage:

fasta-lake entrapment fdp [OPTIONS]

Options:

  --results-dir PATH              Directory of per-sample search results
                                  (SAMPLE/results.sage.tsv or
                                  SAMPLE/*/results.sage.tsv).  [required]
  -o, --output-dir PATH           Output directory for the per-sample TSV and
                                  the FDP record.  [required]
  --dataset TEXT                  Dataset/cohort name for the record.
  --class TEXT                    Entrapment class. Read from the manifest
                                  when present; an explicit value that
                                  contradicts the manifest is refused.
  --stage [prelake|prebuild|preselect|appended]
                                  Injection stage. Read from the manifest when
                                  present. Required if no manifest exists --
                                  it will not be guessed.
  --target-fasta PATH             Target sequence space for the conserved-
                                  peptide test. Every entrapment-attributed
                                  peptide is checked for occurrence here (I/L
                                  normalised, exact substring); those found
                                  are genuinely conserved, not false
                                  discoveries. Required for homologous classes
                                  such as plant.
  --no-conserved-check            Skip the conserved-peptide correction and
                                  report an explicitly UNCORRECTED FDP.
  --normalize-il / --no-normalize-il
                                  Treat I and L as equivalent when matching.
                                  Default: on.
  --q-threshold FLOAT             FDR cutoff. Default 0.01.
  --q-column TEXT                 FDR column. Default peptide_q.
  --min-length INTEGER            Peptide length floor. Default 9.
  --entrap-prefix TEXT            Header prefix identifying entrapment.
                                  Defaults to what the manifest recorded, else
                                  the class prefix. Set this when the run used
                                  a non-standard convention such as
                                  ENTRAPHUMAN_ or ENTRAPNN_ -- a wrong pattern
                                  silently reports ~0% FDP.
  --decoy-prefix TEXT             Decoy tag, used only if the results have no
                                  `label` column. SAGE writes rev_.
  --db-pattern TEXT               Glob (relative to a sample dir) for that
                                  sample's searched FASTA, e.g.
                                  '*_razor.fasta'. Enables per-sample database
                                  partition sizes and the size-corrected
                                  estimators.
  --results-name TEXT             Results filename, or
                                  '<subdir>/results.sage.tsv' to choose one of
                                  several entrapment runs inside a sample
                                  directory.
  --peptide-level                 Count distinct peptides instead of spectra.
  --allow-mixed                   Permit pooling across injection stages or
                                  classes. Produces a number that mixes
                                  different quantities; use only deliberately.
  --entrapment-seed INTEGER       Seed for the bootstrap CI. Default 42.
  --bootstrap-draws INTEGER       Bootstrap draws. Default 2000.
  -v, --verbose
  --help                          Show this message and exit.

fasta-lake entrapment generate#

Produce an entrapment FASTA, deterministically.

Headers are tagged with the class prefix (ENTRAP_SHUF_, ENTRAP_PFUR_, ...) so downstream hits can be attributed. The same seed and input always produce a byte-identical file.

Usage:

fasta-lake entrapment generate [OPTIONS]

Options:

  --class TEXT                    Entrapment class (default: shuffled, the
                                  recommended headline class). See `fasta-lake
                                  entrapment classes`.
  -i, --source PATH               Source FASTA. Required for --class shuffled
                                  (the sequences to shuffle -- normally the
                                  lake you will inject into) and for classes
                                  with no bundled default. Overrides the class
                                  default.
  -o, --output PATH               Output entrapment FASTA.  [required]
  --entrapment-seed INTEGER       Random seed; same seed gives a byte-
                                  identical file. Default 42. Zero is
                                  rejected.
  -n, --n-proteins INTEGER        Write only N proteins, chosen by seeded
                                  subsample. Default: all.
  --prefix TEXT                   Override the class header prefix (default:
                                  the class's own).
  --preserve-cleavage-sites / --no-preserve-cleavage-sites
                                  Hold K/R in place when shuffling so tryptic
                                  peptide lengths match the source. Default:
                                  on.
  -v, --verbose
  --help                          Show this message and exit.

fasta-lake entrapment inject#

Concatenate entrapment into a database and write a manifest.

The manifest records the stage, the class, the seed, the entrapment:target ratio and the counts. Protein counts come from header lines only.

Usage:

fasta-lake entrapment inject [OPTIONS]

Options:

  -d, --database PATH             Database to inject into. For the pre-
                                  selection stages this is the lake that de
                                  novo selection will run against; for
                                  appended it is the finished per-sample
                                  parsimony FASTA.  [required]
  -e, --entrapment PATH           Entrapment FASTA from `entrapment generate`.
                                  [required]
  -o, --output PATH               Augmented FASTA to write.  [required]
  --stage [prelake|prebuild|preselect|appended]
                                  Injection stage, earliest first: prelake
                                  (before the evidence filter), prebuild (re-
                                  clustered with the lake), preselect
                                  (default; clustered lake, no re-clustering),
                                  appended (after parsimony). The first three
                                  measure database-construction error and
                                  differ by how much curation entrapment
                                  survived; appended measures search error.
                                  Recorded in the manifest so the result
                                  cannot be misread later.
  --class TEXT                    Entrapment class, recorded in the manifest
                                  along with its difficulty and
                                  interpretation.
  --entrapment-seed INTEGER       Seed used to generate the entrapment, for
                                  the manifest.
  --entrap-prefix TEXT            Header prefix identifying entrapment.
                                  Defaults to the class prefix, or ENTRAP when
                                  no class is given. Recorded in the manifest
                                  and reused by `entrapment fdp`.
  --manifest PATH                 Manifest path (default:
                                  entrapment_manifest.json beside output).
  --no-checksums                  Skip SHA-256 of the inputs.
  -v, --verbose
  --help                          Show this message and exit.

fasta-lake entrapment prefixes#

Report the entrapment prefixes actually present in a FASTA.

Use this before computing an FDP on a database you did not build. A matcher configured for the wrong convention scores every entrapment record as target and drives the FDP toward zero, silently, with the run completing normally.

Usage:

fasta-lake entrapment prefixes [OPTIONS] FASTA

Options:

  --candidate TEXT  Substring identifying an entrapment tag. Default ENTRAP.
  --json            Emit as JSON.
  --help            Show this message and exit.

fasta-lake entrapment prepare#

Generate + inject entrapment as configured by a fastalake.json.

This is the config-driven form of generate followed by inject. It is a no-op when entrapment.enabled is false.

Usage:

fasta-lake entrapment prepare [OPTIONS]

Options:

  -c, --config PATH      FastaLake JSON config with an `entrapment` section.
                         [required]
  -d, --database PATH    Database to inject into (the lake de novo selection
                         runs against).  [required]
  -o, --output-dir PATH  Directory for entrapment.fasta,
                         augmented_database.fasta and the manifest.
                         [required]
  -v, --verbose
  --help                 Show this message and exit.

fasta-lake evidence-lake#

Stage 1: Create evidence lake from peptide predictions.

Usage:

fasta-lake evidence-lake [OPTIONS]

Options:

  -d, --database PATH             [required]
  -p, --predictions PATH          [required]
  -o, --output PATH               [required]
  -s, --source-tag TEXT
  --normalize-il / --no-normalize-il
  --top-percent FLOAT
  --output-hits PATH
  -t, --threads INTEGER
  -v, --verbose
  --help                          Show this message and exit.

fasta-lake explore-study#

EXPERIMENTAL: inspect annotated signal, coverage, diversity and CLR PCA.

Usage:

fasta-lake explore-study [OPTIONS]

Options:

  --matrix FILE                 [required]
  --annotations FILE            [required]
  --out PATH                    [required]
  --level TEXT                  One declared annotation level, such as KO, EC
                                or genus.  [required]
  --metadata FILE
  --group-column TEXT           Explicitly request one-way PERMANOVA for this
                                metadata column.
  --block-column TEXT           Restrict label permutations to donor/repeated-
                                measure blocks.
  --permutations INTEGER RANGE  [default: 999; x>=1]
  --seed INTEGER RANGE          [default: 0; x>=0]
  --backend [numpy|numba]       [default: numpy]
  --help                        Show this message and exit.

fasta-lake export#

Prepare a FASTA for a specific search engine.

Each engine has specific requirements: sage — adds GN= tags, no decoys (SAGE generates internal decoys) diann — gene name as first word of description (DIA-NN requirement) msfragger — adds GN= tags + reversed decoy sequences (rev_ prefix)

Usage:

fasta-lake export [OPTIONS]

Options:

  -i, --input PATH                Input inference FASTA from FastaLake
                                  [required]
  -o, --output PATH               Engine-ready output FASTA  [required]
  -e, --engine [sage|diann|msfragger]
                                  Target search engine  [required]
  --canonical PATH                SwissProt FASTA for gene resolution (DIA-NN)
  -v, --verbose
  --help                          Show this message and exit.

fasta-lake extract-chunked#

Build evidence in bounded reference pieces and merge before inference.

Usage:

fasta-lake extract-chunked [OPTIONS]

Options:

  --database FILE                 [required]
  --predictions PATH              [required]
  --out PATH                      [required]
  --chunk-mib INTEGER RANGE       Reference piece target in MiB; complete
                                  records are never split.  [default: 256;
                                  x>=1]
  --chunk-records INTEGER RANGE   [default: 500000; x>=1]
  --top-fraction FLOAT RANGE      Rank predictions per sample before matching.
                                  [default: 0.3; 0<x<=1]
  --min-length INTEGER RANGE      [default: 9; x>=1]
  --max-length INTEGER RANGE      [default: 50; x>=1]
  --normalize-il / --no-normalize-il
                                  [default: normalize-il]
  --threads INTEGER RANGE         [default: 1; x>=1]
  --output-hits                   Also retain and merge all peptide hit rows.
  --keep-pieces                   Keep selected piece FASTAs/tables after
                                  merging; uses additional disk.
  --help                          Show this message and exit.

fasta-lake extract-sample#

Stage 2: Extract per-sample protein database.

With -c/--config and entrapment.enabled: true, entrapment is injected into the database before extraction (stage pre-selection), which is what makes an entrapment hit a measurement of database-construction error rather than of search error.

Usage:

fasta-lake extract-sample [OPTIONS]

Options:

  -d, --database PATH             [required]
  -p, --predictions PATH          [required]
  -o, --output PATH               [required]
  -s, --source-tag TEXT
  --normalize-il / --no-normalize-il
  --output-hits PATH
  -t, --threads INTEGER
  -c, --config PATH               FastaLake JSON config. When
                                  `entrapment.enabled` is true and the stage
                                  is pre-selection, entrapment is generated
                                  and injected into --database first, so
                                  entrapment competes for de novo nomination
                                  exactly like a real sequence. A manifest is
                                  written next to the augmented lake.
  --entrapment-dir PATH           Where to put the augmented lake and manifest
                                  (default: <output>.entrapment/).
  -v, --verbose
  --help                          Show this message and exit.

fasta-lake group-study#

Group and quantify completed Sage searches (fasta-lake group-study --help).

Usage:

fasta-lake group-study [OPTIONS] [ARGS]...

fasta-lake init#

Generate an example fastalake.json configuration.

Usage:

fasta-lake init [OPTIONS]

Options:

  --template [minimal|clinical|metaproteomics|full]
                                  Config template type
  --help                          Show this message and exit.

fasta-lake lake-inspect#

Query a lake provenance sidecar produced by lake-merge.

Usage:

fasta-lake lake-inspect [OPTIONS] SIDECAR

Options:

  --accession TEXT  Show record for a specific accession.
  --conflicts-only  Only show conflicting records.
  --duplicates      Only show records where ≥2 sources contributed the exact
                    same sequence (byte-identical collapse).
  --summary         Print aggregate counts instead of records.
  --limit INTEGER   Max records to print (default 20).
  --help            Show this message and exit.

fasta-lake lake-merge#

Merge multiple source FASTAs into one lake with field-level annotation merge (v5.2).

Example:

fasta-lake lake-merge \
    --source SP=swissprot.fasta \
    --source TR=trembl.fasta \
    --source UH=uhgp.fasta \
    -o lake.fasta --embed-sources

Usage:

fasta-lake lake-merge [OPTIONS]

Options:

  --source TAG=PATH            Source FASTA, e.g. --source SP=swissprot.fasta.
                               Repeatable.  [required]
  -o, --out-fasta PATH         [required]
  -p, --out-provenance PATH    Output JSONL sidecar path. Defaults to <out-
                               fasta>.provenance.jsonl
  --mode [merge|priority-win]  merge = v5.2 field-level merge (default).
                               priority-win = legacy behaviour for regression
                               checks.
  --priority TEXT              Comma-separated tag priority, e.g. UH,SP,TR.
                               Default: SP,TR,UH,GM,GENCODE,GNOMAD,NCBI
  --embed-sources              Append [FLlake:sources=...] to FASTA headers
                               (opt-in).
  --compress                   Gzip the provenance sidecar.
  -v, --verbose
  --help                       Show this message and exit.

fasta-lake molecular#

Prepare TPM inputs, select exact proteins and compare matched searches.

Usage:

fasta-lake molecular [OPTIONS] COMMAND [ARGS]...

Options:

  --help  Show this message and exit.

Subcommands

  • add: Keep a final de novo FASTA and append DNA/RNA/metabolite-supported proteins.
  • compare: Compare exact proteins, accepted peptides and LFQ in two matched Sage searches.
  • increments: List gained/lost peptide and protein support against one complete reference.
  • prepare-source: Check and copy specimen inputs into a new portable source directory.
  • select: Build a standalone molecular FASTA with an optional common background.
  • validate-source: Check source hashes, gene agreement, annotation links and declared scope.

fasta-lake molecular add#

Keep a final de novo FASTA and append DNA/RNA/metabolite-supported proteins.

Usage:

fasta-lake molecular add [OPTIONS]

Options:

  --baseline FILE               [required]
  --source FILE                 [required]
  --specimen TEXT               Specimen matching the source manifest.
                                [required]
  --out PATH                    [required]
  --background FILE             Identical target-only host/contaminant
                                background for compared arms.
  --dna-percent FLOAT           Top percent of positive available DNA genes;
                                zero disables.  [default: 1.0]
  --rna-percent FLOAT           Top percent of positive available RNA genes;
                                zero disables.  [default: 0]
  --dna-absolute FLOAT          Strict DNA TPM threshold; requires dna-
                                percent=0.
  --rna-absolute FLOAT          Strict RNA TPM threshold; requires rna-
                                percent=0.
  --rank-rounding [floor|ceil]  [default: floor]
  --metabolites                 Also select through positive compounds and
                                direct reaction/KO links.
  --help                        Show this message and exit.

fasta-lake molecular compare#

Compare exact proteins, accepted peptides and LFQ in two matched Sage searches.

Usage:

fasta-lake molecular compare [OPTIONS]

Options:

  --left DIRECTORY    [required]
  --right DIRECTORY   [required]
  --out PATH          [required]
  --left-label TEXT   [default: metaG]
  --right-label TEXT  [default: de_novo]
  --peptide-q FLOAT   [default: 0.01]
  --protein-q FLOAT
  --compress-tables   Write overlap tables as gzip TSV.
  --help              Show this message and exit.

fasta-lake molecular increments#

List gained/lost peptide and protein support against one complete reference.

Usage:

fasta-lake molecular increments [OPTIONS]

Options:

  --left DIRECTORY       [required]
  --right DIRECTORY      [required]
  --reference FILE       Full declared target reference including the shared
                         host background.  [required]
  --host-reference FILE
  --out PATH             [required]
  --left-label TEXT      [default: de_novo]
  --right-label TEXT     [default: with_molecular]
  --peptide-q FLOAT      [default: 0.01]
  --protein-q FLOAT
  --help                 Show this message and exit.

fasta-lake molecular prepare-source#

Check and copy specimen inputs into a new portable source directory.

Usage:

fasta-lake molecular prepare-source [OPTIONS]

Options:

  --out PATH                      [required]
  --specimen TEXT                 [required]
  --reference-id TEXT             [required]
  --reference-scope [complete|available]
                                  Available explicitly reports genes without
                                  sequences and excludes them.  [default:
                                  complete]
  --tpm FILE                      [required]
  --proteins FILE                 [required]
  --provenance FILE               [required]
  --alternate-proteins FILE
  --annotations FILE
  --metabolites FILE
  --compound-links FILE
  --help                          Show this message and exit.

fasta-lake molecular select#

Build a standalone molecular FASTA with an optional common background.

Usage:

fasta-lake molecular select [OPTIONS]

Options:

  --source FILE                 [required]
  --specimen TEXT               Specimen matching the source manifest.
                                [required]
  --out PATH                    [required]
  --background FILE             Identical target-only host/contaminant
                                background for compared arms.
  --dna-percent FLOAT           Top percent of positive available DNA genes;
                                zero disables.  [default: 0.0]
  --rna-percent FLOAT           Top percent of positive available RNA genes;
                                zero disables.  [default: 0]
  --dna-absolute FLOAT          Strict DNA TPM threshold; requires dna-
                                percent=0.
  --rna-absolute FLOAT          Strict RNA TPM threshold; requires rna-
                                percent=0.
  --rank-rounding [floor|ceil]  [default: floor]
  --metabolites                 Also select through positive compounds and
                                direct reaction/KO links.
  --help                        Show this message and exit.

fasta-lake molecular validate-source#

Check source hashes, gene agreement, annotation links and declared scope.

Usage:

fasta-lake molecular validate-source [OPTIONS]

Options:

  --source FILE  [required]
  --help         Show this message and exit.

fasta-lake network#

Export peptide memberships and render experimental CKG network views.

Usage:

fasta-lake network [OPTIONS] COMMAND [ARGS]...

Options:

  --help  Show this message and exit.

Subcommands

  • eggnog: Attach eggNOG annotations by exact protein sequence; retain unknowns.
  • export: Export complete accepted memberships from a group-study result.
  • render: Create an experimental CKG report from a completed export.

fasta-lake network eggnog#

Attach eggNOG annotations by exact protein sequence; retain unknowns.

Usage:

fasta-lake network eggnog [OPTIONS]

Options:

  --bundle DIRECTORY           [required]
  --annotation PATH            Completed FastaLake annotation folder or native
                               eggNOG output.  [required]
  --fasta FILE                 Study representatives.fasta or a recorded
                               search FASTA.  [required]
  --query-fasta FILE           Original annotation queries; required only for
                               native eggNOG output.
  --out PATH                   [required]
  --field TEXT                 Annotation namespace; repeat for multiple
                               namespaces.  [default: KEGG_ko, EC, GOs, PFAMs]
  --max-records INTEGER RANGE  [default: 100000; x>=1]
  --help                       Show this message and exit.

fasta-lake network export#

Export complete accepted memberships from a group-study result.

Usage:

fasta-lake network export [OPTIONS]

Options:

  --groups DIRECTORY         [required]
  --out PATH                 [required]
  --max-rows INTEGER RANGE   [default: 1000000; x>=1]
  --max-edges INTEGER RANGE  [default: 1000000; x>=1]
  --help                     Show this message and exit.

fasta-lake network render#

Create an experimental CKG report from a completed export.

Usage:

fasta-lake network render [OPTIONS]

Options:

  --bundle DIRECTORY         [required]
  --out PATH                 [required]
  --annotations DIRECTORY    Checked network eggnog output to show in the
                             evidence view.
  --ckg-python FILE          Python executable from a compatible CKG
                             environment.  [required]
  --ckg-source DIRECTORY     Optional CKG source checkout to use with that
                             environment.
  --max-nodes INTEGER RANGE  Limit the view; complete exported evidence is
                             retained.  [default: 150; x>=2]
  --max-edges INTEGER RANGE  [default: 300; x>=1]
  --help                     Show this message and exit.

fasta-lake plan-resources#

Show laptop planning choices without starting a workflow.

Usage:

fasta-lake plan-resources [OPTIONS]

Options:

  --memory-budget-gib FLOAT
  --memory-fraction FLOAT    [default: 0.35]
  --cpu-fraction FLOAT       [default: 0.5]
  --threads INTEGER RANGE    [x>=1]
  --chunk-mib INTEGER RANGE  [x>=1]
  --help                     Show this message and exit.

fasta-lake quantify-study#

Quantify completed study groups and retain peptide/ion support diagnostics.

Usage:

fasta-lake quantify-study [OPTIONS]

Options:

  --groups DIRECTORY        [required]
  --out PATH                [required]
  --method [sum|directlfq]  Quantify the same fixed study-group assignments.
                            [default: sum]
  --threads INTEGER RANGE   [default: 1; x>=1]
  --skip-qc                 Explicitly omit automatic QC/PCA for a core-only
                            installation.
  --help                    Show this message and exit.

fasta-lake resources#

Choose, size and download public reference databases and model weights.

Usage:

fasta-lake resources [OPTIONS] COMMAND [ARGS]...

Options:

  --help  Show this message and exit.

Subcommands

  • download: Show the plan, then explicitly download one chosen resource; do not unpack.
  • list: Show installed choices and dated sizes; this command is offline.
  • plan: Show release, download bytes and disk needs without downloading data.
  • unpack: Unpack archives into a new directory within an explicit disk budget.

fasta-lake resources download#

Show the plan, then explicitly download one chosen resource; do not unpack.

Usage:

fasta-lake resources download [OPTIONS] NAME

Options:

  --directory PATH  [required]
  --resume          Resume an unchanged interrupted resource.
  --help            Show this message and exit.

fasta-lake resources list#

Show installed choices and dated sizes; this command is offline.

Usage:

fasta-lake resources list [OPTIONS]

Options:

  --json
  --help  Show this message and exit.

fasta-lake resources plan#

Show release, download bytes and disk needs without downloading data.

Usage:

fasta-lake resources plan [OPTIONS] NAME

Options:

  --directory PATH  [required]
  --json
  --help            Show this message and exit.

fasta-lake resources unpack#

Unpack archives into a new directory within an explicit disk budget.

Usage:

fasta-lake resources unpack [OPTIONS] ARCHIVES...

Options:

  --directory PATH       [required]
  --max-gib FLOAT RANGE  Maximum expanded disk bytes in GiB; original archives
                         also occupy disk.  [x>0; required]
  --help                 Show this message and exit.

fasta-lake run#

Run the whole study from an acquisition manifest (fasta-lake run --help).

Usage:

fasta-lake run [OPTIONS] [ARGS]...

fasta-lake taxonomy#

Export Unipept queries and plot its saved taxonomic assignments locally.

Usage:

fasta-lake taxonomy [OPTIONS] COMMAND [ARGS]...

Options:

  --help  Show this message and exit.

Subcommands

  • prepare: Write canonical peptides for Unipept pept2lca --all --equate.
  • prepare-reference: Experimental: export a selected FASTA for Unipept's native index builder.
  • report: Render upstream sunburst/treemap/tree with explicit counts, signal and citations.

fasta-lake taxonomy prepare#

Write canonical peptides for Unipept pept2lca --all --equate.

Usage:

fasta-lake taxonomy prepare [OPTIONS]

Options:

  --groups DIRECTORY  [required]
  --out PATH          [required]
  --help              Show this message and exit.

fasta-lake taxonomy prepare-reference#

Experimental: export a selected FASTA for Unipept's native index builder.

Usage:

fasta-lake taxonomy prepare-reference [OPTIONS]

Options:

  --fasta FILE                  [required]
  --out PATH                    [required]
  --taxonomy-map FILE           Explicit accession/ncbi_taxon_id TSV; unmapped
                                proteins stay unresolved.
  --max-proteins INTEGER RANGE  [default: 100000; x>=1]
  --help                        Show this message and exit.

fasta-lake taxonomy report#

Render upstream sunburst/treemap/tree with explicit counts, signal and citations.

Usage:

fasta-lake taxonomy report [OPTIONS]

Options:

  --groups DIRECTORY             [required]
  --unipept-output FILE          [required]
  --out PATH                     [required]
  --database TEXT                Reference/version reported by the selected
                                 Unipept server.  [required]
  --equate-il                    Declare that Unipept was run with --equate
                                 (required).
  --host-taxon-id INTEGER RANGE  [default: 9606; x>=1]
  --contaminant-peptides FILE    Optional explicit reference: one unmodified
                                 peptide per line.
  --help                         Show this message and exit.

fasta-lake validate#

Validate a FASTA Lake JSON configuration file.

Usage:

fasta-lake validate [OPTIONS] CONFIG_FILE

Options:

  --help  Show this message and exit.