ecoli-sources bundle integration report

v2ecoli  •  branch: feat/ecoli-sources-bundle  •  generated: unknown

1   Bundle inputs

135 keys total — 3 v2ecoli overrides (diverged flat files, embedded), 132 from ecoli-sources (linked to the pinned commit). Total raw size: 13.15 MB.

Embedding strategy: split — the 132 inherited files link to the pinned ecoli-sources commit (8d468b17a56a…) on GitHub (raw.githubusercontent.com); the 3 v2ecoli overrides are embedded inline as data: URIs so the report stays self-contained. This keeps the HTML small (total raw bundle: 13.15 MB).
Canonical keySourceFilenameSize (KB)Download
equilibrium_reaction_ratesv2ecoli overrideequilibrium_reaction_rates.tsv6.2download (embedded)
equilibrium_reactionsv2ecoli overrideequilibrium_reactions.tsv24.4download (embedded)
metabolic_reactions_addedv2ecoli overridemetabolic_reactions_added.tsv2.8download (embedded)
adjustments__amino_acid_pathwaysecoli-sourcesamino_acid_pathways.tsv0.0download ↗
adjustments__balanced_translation_efficienciesecoli-sourcesbalanced_translation_efficiencies.tsv0.9download ↗
adjustments__protein_deg_rates_adjustmentsecoli-sourcesprotein_deg_rates_adjustments.tsv0.3download ↗
adjustments__relative_metabolite_concentrations_changesecoli-sourcesrelative_metabolite_concentrations_changes.tsv0.4download ↗
adjustments__rna_deg_rates_adjustmentsecoli-sourcesrna_deg_rates_adjustments.tsv0.4download ↗
adjustments__rna_expression_adjustmentsecoli-sourcesrna_expression_adjustments.tsv1.5download ↗
adjustments__translation_efficiencies_adjustmentsecoli-sourcestranslation_efficiencies_adjustments.tsv3.1download ↗
base_codes__amino_acidsecoli-sourcesamino_acids.tsv0.3download ↗
base_codes__dntpecoli-sourcesdntp.tsv0.1download ↗
base_codes__nmpecoli-sourcesnmp.tsv0.1download ↗
base_codes__ntpecoli-sourcesntp.tsv0.1download ↗
cell_wall__murein_strand_length_distributionecoli-sourcesmurein_strand_length_distribution.csv1.9download ↗
condition__condition_defsecoli-sourcescondition_defs.tsv0.9download ↗
condition__environment_moleculesecoli-sourcesenvironment_molecules.tsv2.1download ↗
condition__media__5X_supplement_EZecoli-sources5X_supplement_EZ.tsv0.4download ↗
condition__media__MIX0-47ecoli-sourcesMIX0-47.tsv0.4download ↗
condition__media__MIX0-51ecoli-sourcesMIX0-51.tsv0.5download ↗
condition__media__MIX0-55ecoli-sourcesMIX0-55.tsv0.5download ↗
condition__media__MIX0-57ecoli-sourcesMIX0-57.tsv0.5download ↗
condition__media__MIX0-58ecoli-sourcesMIX0-58.tsv0.5download ↗
condition__media__MIX0-844ecoli-sourcesMIX0-844.tsv0.5download ↗
condition__media_recipesecoli-sourcesmedia_recipes.tsv1.6download ↗
condition__tf_conditionecoli-sourcestf_condition.tsv1.8download ↗
condition__timelines_defecoli-sourcestimelines_def.tsv1.7download ↗
mass_fractions__LPS_fractionsecoli-sourcesLPS_fractions.tsv0.0download ↗
mass_fractions__glycogen_fractionsecoli-sourcesglycogen_fractions.tsv0.1download ↗
mass_fractions__ion_fractionsecoli-sourcesion_fractions.tsv0.3download ↗
mass_fractions__lipid_fractionsecoli-sourceslipid_fractions.tsv0.1download ↗
mass_fractions__murein_fractionsecoli-sourcesmurein_fractions.tsv0.0download ↗
mass_fractions__soluble_fractionsecoli-sourcessoluble_fractions.tsv0.9download ↗
new_gene_data__gfp__gene_sequencesecoli-sourcesgene_sequences.tsv0.8download ↗
new_gene_data__gfp__genesecoli-sourcesgenes.tsv0.1download ↗
new_gene_data__gfp__insertion_locationecoli-sourcesinsertion_location.tsv0.1download ↗
new_gene_data__gfp__protein_half_lives_measuredecoli-sourcesprotein_half_lives_measured.tsv0.0download ↗
new_gene_data__gfp__proteinsecoli-sourcesproteins.tsv0.5download ↗
new_gene_data__gfp__rna_half_livesecoli-sourcesrna_half_lives.tsv0.0download ↗
new_gene_data__gfp__rnasecoli-sourcesrnas.tsv0.2download ↗
new_gene_data__new_gene_baseline_expression_parametersecoli-sourcesnew_gene_baseline_expression_parameters.tsv0.9download ↗
new_gene_data__template__gene_sequencesecoli-sourcesgene_sequences.tsv0.0download ↗
new_gene_data__template__genesecoli-sourcesgenes.tsv0.1download ↗
new_gene_data__template__insertion_locationecoli-sourcesinsertion_location.tsv0.0download ↗
new_gene_data__template__protein_half_lives_measuredecoli-sourcesprotein_half_lives_measured.tsv0.0download ↗
new_gene_data__template__proteinsecoli-sourcesproteins.tsv0.2download ↗
new_gene_data__template__rna_half_livesecoli-sourcesrna_half_lives.tsv0.0download ↗
new_gene_data__template__rnasecoli-sourcesrnas.tsv0.1download ↗
rna_seq_data__doubling_timesecoli-sourcesdoubling_times.tsv0.2download ↗
rna_seq_data__rnaseq_rsem_tpm_meanecoli-sourcesrnaseq_rsem_tpm_mean.tsv287.8download ↗
rna_seq_data__rnaseq_rsem_tpm_stdecoli-sourcesrnaseq_rsem_tpm_std.tsv345.7download ↗
rna_seq_data__rnaseq_seal_rpkm_meanecoli-sourcesrnaseq_seal_rpkm_mean.tsv304.2download ↗
rna_seq_data__rnaseq_seal_rpkm_stdecoli-sourcesrnaseq_seal_rpkm_std.tsv350.9download ↗
amino_acid_export_kmsecoli-sourcesamino_acid_export_kms.tsv1.1download ↗
amino_acid_export_kms_removedecoli-sourcesamino_acid_export_kms_removed.tsv0.1download ↗
amino_acid_pathwaysecoli-sourcesamino_acid_pathways.tsv5.8download ↗
amino_acid_uptake_ratesecoli-sourcesamino_acid_uptake_rates.tsv0.9download ↗
amino_acid_uptake_rates_removedecoli-sourcesamino_acid_uptake_rates_removed.tsv0.1download ↗
biomassecoli-sourcesbiomass.tsv4.6download ↗
compartmentsecoli-sourcescompartments.tsv0.2download ↗
complexation_reactionsecoli-sourcescomplexation_reactions.tsv130.1download ↗
complexation_reactions_addedecoli-sourcescomplexation_reactions_added.tsv0.3download ↗
complexation_reactions_modifiedecoli-sourcescomplexation_reactions_modified.tsv0.7download ↗
complexation_reactions_removedecoli-sourcescomplexation_reactions_removed.tsv2.7download ↗
disabled_kinetic_reactionsecoli-sourcesdisabled_kinetic_reactions.tsv1.7download ↗
dna_sitesecoli-sourcesdna_sites.tsv284.0download ↗
dna_supercoilingecoli-sourcesdna_supercoiling.tsv0.1download ↗
dry_mass_compositionecoli-sourcesdry_mass_composition.tsv0.8download ↗
endoRNasesecoli-sourcesendoRNases.tsv0.2download ↗
equilibrium_reactions_addedecoli-sourcesequilibrium_reactions_added.tsv1.4download ↗
equilibrium_reactions_removedecoli-sourcesequilibrium_reactions_removed.tsv6.7download ↗
fold_changesecoli-sourcesfold_changes.tsv22.1download ↗
fold_changes_ncaecoli-sourcesfold_changes_nca.tsv74.7download ↗
fold_changes_removedecoli-sourcesfold_changes_removed.tsv3.8download ↗
footprint_sizesecoli-sourcesfootprint_sizes.tsv0.1download ↗
gene_fragmentsecoli-sourcesgene_fragments.tsv2.6download ↗
genesecoli-sourcesgenes.tsv399.5download ↗
growth_rate_dependent_parametersecoli-sourcesgrowth_rate_dependent_parameters.tsv0.6download ↗
linked_metabolitesecoli-sourceslinked_metabolites.tsv0.4download ↗
mass_parametersecoli-sourcesmass_parameters.tsv0.6download ↗
metabolic_reactionsecoli-sourcesmetabolic_reactions.tsv1212.3download ↗
metabolic_reactions_modifiedecoli-sourcesmetabolic_reactions_modified.tsv2.8download ↗
metabolic_reactions_removedecoli-sourcesmetabolic_reactions_removed.tsv0.4download ↗
metabolism_kineticsecoli-sourcesmetabolism_kinetics.tsv144.0download ↗
metabolite_concentrationsecoli-sourcesmetabolite_concentrations.tsv6.1download ↗
metabolite_concentrations_removedecoli-sourcesmetabolite_concentrations_removed.tsv0.3download ↗
metabolitesecoli-sourcesmetabolites.tsv1484.1download ↗
metabolites_addedecoli-sourcesmetabolites_added.tsv0.6download ↗
modified_proteinsecoli-sourcesmodified_proteins.tsv2.5download ↗
molecular_weight_keysecoli-sourcesmolecular_weight_keys.tsv0.1download ↗
parametersecoli-sourcesparameters.tsv2.6download ↗
ppgpp_fcecoli-sourcesppgpp_fc.tsv364.5download ↗
ppgpp_regulationecoli-sourcesppgpp_regulation.tsv9.9download ↗
ppgpp_regulation_addedecoli-sourcesppgpp_regulation_added.tsv1.7download ↗
ppgpp_regulation_removedecoli-sourcesppgpp_regulation_removed.tsv0.1download ↗
protein_half_lives_measuredecoli-sourcesprotein_half_lives_measured.tsv0.4download ↗
protein_half_lives_n_end_ruleecoli-sourcesprotein_half_lives_n_end_rule.tsv0.6download ↗
protein_half_lives_pulsed_silacecoli-sourcesprotein_half_lives_pulsed_silac.tsv26.3download ↗
proteinsecoli-sourcesproteins.tsv1896.2download ↗
relative_metabolite_concentrationsecoli-sourcesrelative_metabolite_concentrations.tsv4.6download ↗
rna_half_livesecoli-sourcesrna_half_lives.tsv45.1download ↗
rna_maturation_enzymesecoli-sourcesrna_maturation_enzymes.tsv2.0download ↗
rnasecoli-sourcesrnas.tsv471.7download ↗
rnaseq_basal_tpmsecoli-sourcesvecoli_m9_glucose_minus_aas.tsv142.3download ↗
rnaseq_experimental_tpmsecoli-sourcesvecoli_m9_glucose_minus_aas.tsv142.3download ↗
secretionsecoli-sourcessecretions.tsv1.0download ↗
sequenceecoli-sourcessequence.fasta4597.7download ↗
sequence_motifsecoli-sourcessequence_motifs.tsv0.2download ↗
tf_one_component_boundecoli-sourcestf_one_component_bound.tsv0.4download ↗
transcription_factorsecoli-sourcestranscription_factors.tsv97.0download ↗
transcription_unitsecoli-sourcestranscription_units.tsv327.7download ↗
transcription_units_addedecoli-sourcestranscription_units_added.tsv8.2download ↗
transcription_units_modifiedecoli-sourcestranscription_units_modified.tsv0.6download ↗
transcription_units_removedecoli-sourcestranscription_units_removed.tsv4.0download ↗
transcriptional_attenuationecoli-sourcestranscriptional_attenuation.tsv1.4download ↗
transcriptional_attenuation_removedecoli-sourcestranscriptional_attenuation_removed.tsv1.2download ↗
translation_efficiencyecoli-sourcestranslation_efficiency.tsv83.4download ↗
trna_charging_reactionsecoli-sourcestrna_charging_reactions.tsv35.5download ↗
trna_charging_reactions_addedecoli-sourcestrna_charging_reactions_added.tsv0.4download ↗
trna_charging_reactions_removedecoli-sourcestrna_charging_reactions_removed.tsv15.7download ↗
two_component_system_templatesecoli-sourcestwo_component_system_templates.tsv3.7download ↗
two_component_systemsecoli-sourcestwo_component_systems.tsv1.4download ↗
rrna_options__remove_rrff__genes_removedecoli-sourcesgenes_removed.tsv0.2download ↗
rrna_options__remove_rrff__mass_parameters_modifiedecoli-sourcesmass_parameters_modified.tsv0.2download ↗
rrna_options__remove_rrff__rnas_removedecoli-sourcesrnas_removed.tsv0.2download ↗
rrna_options__remove_rrff__transcription_units_modifiedecoli-sourcestranscription_units_modified.tsv0.7download ↗
rrna_options__remove_rrna_operons__transcription_units_addedecoli-sourcestranscription_units_added.tsv10.3download ↗
rrna_options__remove_rrna_operons__transcription_units_removedecoli-sourcestranscription_units_removed.tsv4.4download ↗
trna_data__trna_dataecoli-sourcestrna_data.tsv3.4download ↗
trna_data__trna_growth_ratesecoli-sourcestrna_growth_rates.tsv0.0download ↗
trna_data__trna_ratio_to_16SrRNA_0p4ecoli-sourcestrna_ratio_to_16SrRNA_0p4.tsv1.5download ↗
trna_data__trna_ratio_to_16SrRNA_0p7ecoli-sourcestrna_ratio_to_16SrRNA_0p7.tsv1.5download ↗
trna_data__trna_ratio_to_16SrRNA_1p07ecoli-sourcestrna_ratio_to_16SrRNA_1p07.tsv1.5download ↗
trna_data__trna_ratio_to_16SrRNA_1p6ecoli-sourcestrna_ratio_to_16SrRNA_1p6.tsv1.5download ↗
trna_data__trna_ratio_to_16SrRNA_2p5ecoli-sourcestrna_ratio_to_16SrRNA_2p5.tsv1.5download ↗

2   How ParCa runs them

Pipeline overview

v2ecoli-parca builds a 9-step process-bigraph composite from the bundle’s flat TSV files. Each step is a _type: step node in the bigraph store; steps fire sequentially via run_steps_on_init. The diagram below shows the data-flow from bundle manifest to pickled sim_data.

ecoli-sources bundle
reference_bundle.tsv
135 canonical keys
+
v2ecoli overrides
parca_overrides.tsv
3 diverged flat files
→
SourceBundle resolver
canonical_key → Path
overrides win on merge
→
KnowledgeBaseEcoli
reads TSV flat files
into raw_data structs
→
build_parca_composite
9 bigraph Steps wired
in a DAG composite
→
sim_data
SimulationDataEcoli
parca_state.pkl

Override mechanism

v2ecoli keeps three biology-diverged files locally in v2ecoli/processes/parca/reconstruction/ecoli/flat_overrides/ and lists them in parca_overrides.tsv. SourceBundle.__init__ reads the ecoli-sources reference_bundle.tsv first, then applies the override manifest on top — later entries overwrite earlier ones for the same canonical_key. The three overridden keys are: equilibrium_reactions, equilibrium_reaction_rates, and metabolic_reactions_added (DnaA-ATP hydrolysis + metabolic additions from PRs #123 and v2parca merge #16).

Bundle swap point for variants

Passing --bundle-manifest-path to v2ecoli-parca replaces the default ecoli-sources BUNDLE_PATH as the base manifest. Rows in the replacement manifest that match a canonical_key from the default bundle override its source_path. v2ecoli’s override manifest is then layered on top as usual. This bundle-override path is kept available for future input-dataset variants, but section 4’s default variant is a ParCa configuration swap (operons on/off) because v2ecoli’s ParCa ignores an rnaseq_experimental_tpms swap today (see section 4’s NOTE).

9 pipeline steps

StepWhat it does
Step 1 — InitializeStepLoads KnowledgeBaseEcoli raw flat-file tables; instantiates an empty SimulationDataEcoli; populates compartments, MW keys, base codes, and helper objects.
Step 2 — InputAdjustmentsStepApplies optional gene-knockouts and expression adjustments from adjustments/ keys.
Step 3 — BasalSpecsStepFits basal transcription and translation parameters (RNA/protein fractions, elongation rates). Caches Km optimisation results to disk.
Step 4 — TfConditionSpecsStepFits per-TF-condition expression specs in parallel (--cpus controls fan-out).
Step 5 — FitConditionStepIterates promoter-binding/ribosome-capacity fitting per nutrient condition; the most CPU-intensive step (~60 min total).
Step 6 — PromoterBindingStepSets promoter-bound RNAP fractions using the fitted TF activities.
Step 7 — AdjustPromotersStepApplies ppGpp-based promoter-expression adjustments.
Step 8 — SetConditionsStepWrites per-condition biomass/mass targets into cell_specs; emits expected_dry_mass_increase_dict.
Step 9 — FinalAdjustmentsStepNormalises remaining fitted parameters; finalises sim_data_root.

3   ParCa output (default bundle)

SimulationDataEcoli loaded from /Users/eranagmon/code/v2ecoli-ecolisrc/out/parca_report_default/parca_state.pkl (135.9 MB). Attributes accessed defensively; — = not reachable. pkl too large to embed (135.9 MB); path: /Users/eranagmon/code/v2ecoli-ecolisrc/out/parca_report_default/parca_state.pkl

These are the same metrics used for the multi-ParCa comparison in section 4 (one column per independent ParCa run).

Attribute paths attempted: sd.process.transcription.cistron_data, sd.process.transcription.rna_data, sd.process.translation.n_monomers, sd.process.translation.translation_efficiencies_by_monomer, sd.process.metabolism.base_reaction_ids, sd.internal_state.bulk_molecules.bulk_data, sd.mass.avg_cell_dry_mass, sd.doubling_time, sd.condition_to_doubling_time, sd.process.transcription._genome_length.

MetricValue
Cistrons (gene models)4538
RNA species3277
Protein monomers4309
Metabolic reactions (base)2820
Bulk molecule species16321
Avg cell dry mass (fg)452.87
Doubling time (min)44.0
Nutrient conditions51
Mean translation efficiency1.1236
Genome length (bp)4,641,652

4   Multi-ParCa variant comparison

NOTE. Input-dataset swaps — running ParCa over different RNA-seq conditions (the issue #130 multi-ParCa vision) — require v2ecoli to adopt the bundle’s rnaseq_experimental_tpms abstraction. v2ecoli’s ParCa currently fits the legacy wide-format rna_seq_data__rnaseq_rsem_tpm_mean input, so swapping that experimental-tpms key is a no-op here (verified: identical fitted expression). The variant shown below is a ParCa configuration variant (operons on/off), which v2ecoli does respond to. Per-condition input swaps land with #130.

Each column is an independent ParCa run. Column 1 is the default (operons on); further columns are ParCa configuration variants (e.g. operons off via --no-operons), which change the fitted RNA / transcription-unit structure, so the count metrics differ. Cells that differ from the default column are bold. Failed runs show as isolated error columns; they do not abort the report.

Metricdefault (operons on)operons off
Cistrons (gene models)45384538
RNA species32774538
Protein monomers43094309
Metabolic reactions (base)28202820
Bulk molecule species1632117426
Avg cell dry mass (fg)452.87452.87
Doubling time (min)44.044.0
Nutrient conditions5151
Mean translation efficiency1.12361.1236
Genome length (bp)4,641,6524,641,652