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.
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 key | Source | Filename | Size (KB) | Download |
|---|---|---|---|---|
| equilibrium_reaction_rates | v2ecoli override | equilibrium_reaction_rates.tsv | 6.2 | download (embedded) |
| equilibrium_reactions | v2ecoli override | equilibrium_reactions.tsv | 24.4 | download (embedded) |
| metabolic_reactions_added | v2ecoli override | metabolic_reactions_added.tsv | 2.8 | download (embedded) |
| adjustments__amino_acid_pathways | ecoli-sources | amino_acid_pathways.tsv | 0.0 | download ↗ |
| adjustments__balanced_translation_efficiencies | ecoli-sources | balanced_translation_efficiencies.tsv | 0.9 | download ↗ |
| adjustments__protein_deg_rates_adjustments | ecoli-sources | protein_deg_rates_adjustments.tsv | 0.3 | download ↗ |
| adjustments__relative_metabolite_concentrations_changes | ecoli-sources | relative_metabolite_concentrations_changes.tsv | 0.4 | download ↗ |
| adjustments__rna_deg_rates_adjustments | ecoli-sources | rna_deg_rates_adjustments.tsv | 0.4 | download ↗ |
| adjustments__rna_expression_adjustments | ecoli-sources | rna_expression_adjustments.tsv | 1.5 | download ↗ |
| adjustments__translation_efficiencies_adjustments | ecoli-sources | translation_efficiencies_adjustments.tsv | 3.1 | download ↗ |
| base_codes__amino_acids | ecoli-sources | amino_acids.tsv | 0.3 | download ↗ |
| base_codes__dntp | ecoli-sources | dntp.tsv | 0.1 | download ↗ |
| base_codes__nmp | ecoli-sources | nmp.tsv | 0.1 | download ↗ |
| base_codes__ntp | ecoli-sources | ntp.tsv | 0.1 | download ↗ |
| cell_wall__murein_strand_length_distribution | ecoli-sources | murein_strand_length_distribution.csv | 1.9 | download ↗ |
| condition__condition_defs | ecoli-sources | condition_defs.tsv | 0.9 | download ↗ |
| condition__environment_molecules | ecoli-sources | environment_molecules.tsv | 2.1 | download ↗ |
| condition__media__5X_supplement_EZ | ecoli-sources | 5X_supplement_EZ.tsv | 0.4 | download ↗ |
| condition__media__MIX0-47 | ecoli-sources | MIX0-47.tsv | 0.4 | download ↗ |
| condition__media__MIX0-51 | ecoli-sources | MIX0-51.tsv | 0.5 | download ↗ |
| condition__media__MIX0-55 | ecoli-sources | MIX0-55.tsv | 0.5 | download ↗ |
| condition__media__MIX0-57 | ecoli-sources | MIX0-57.tsv | 0.5 | download ↗ |
| condition__media__MIX0-58 | ecoli-sources | MIX0-58.tsv | 0.5 | download ↗ |
| condition__media__MIX0-844 | ecoli-sources | MIX0-844.tsv | 0.5 | download ↗ |
| condition__media_recipes | ecoli-sources | media_recipes.tsv | 1.6 | download ↗ |
| condition__tf_condition | ecoli-sources | tf_condition.tsv | 1.8 | download ↗ |
| condition__timelines_def | ecoli-sources | timelines_def.tsv | 1.7 | download ↗ |
| mass_fractions__LPS_fractions | ecoli-sources | LPS_fractions.tsv | 0.0 | download ↗ |
| mass_fractions__glycogen_fractions | ecoli-sources | glycogen_fractions.tsv | 0.1 | download ↗ |
| mass_fractions__ion_fractions | ecoli-sources | ion_fractions.tsv | 0.3 | download ↗ |
| mass_fractions__lipid_fractions | ecoli-sources | lipid_fractions.tsv | 0.1 | download ↗ |
| mass_fractions__murein_fractions | ecoli-sources | murein_fractions.tsv | 0.0 | download ↗ |
| mass_fractions__soluble_fractions | ecoli-sources | soluble_fractions.tsv | 0.9 | download ↗ |
| new_gene_data__gfp__gene_sequences | ecoli-sources | gene_sequences.tsv | 0.8 | download ↗ |
| new_gene_data__gfp__genes | ecoli-sources | genes.tsv | 0.1 | download ↗ |
| new_gene_data__gfp__insertion_location | ecoli-sources | insertion_location.tsv | 0.1 | download ↗ |
| new_gene_data__gfp__protein_half_lives_measured | ecoli-sources | protein_half_lives_measured.tsv | 0.0 | download ↗ |
| new_gene_data__gfp__proteins | ecoli-sources | proteins.tsv | 0.5 | download ↗ |
| new_gene_data__gfp__rna_half_lives | ecoli-sources | rna_half_lives.tsv | 0.0 | download ↗ |
| new_gene_data__gfp__rnas | ecoli-sources | rnas.tsv | 0.2 | download ↗ |
| new_gene_data__new_gene_baseline_expression_parameters | ecoli-sources | new_gene_baseline_expression_parameters.tsv | 0.9 | download ↗ |
| new_gene_data__template__gene_sequences | ecoli-sources | gene_sequences.tsv | 0.0 | download ↗ |
| new_gene_data__template__genes | ecoli-sources | genes.tsv | 0.1 | download ↗ |
| new_gene_data__template__insertion_location | ecoli-sources | insertion_location.tsv | 0.0 | download ↗ |
| new_gene_data__template__protein_half_lives_measured | ecoli-sources | protein_half_lives_measured.tsv | 0.0 | download ↗ |
| new_gene_data__template__proteins | ecoli-sources | proteins.tsv | 0.2 | download ↗ |
| new_gene_data__template__rna_half_lives | ecoli-sources | rna_half_lives.tsv | 0.0 | download ↗ |
| new_gene_data__template__rnas | ecoli-sources | rnas.tsv | 0.1 | download ↗ |
| rna_seq_data__doubling_times | ecoli-sources | doubling_times.tsv | 0.2 | download ↗ |
| rna_seq_data__rnaseq_rsem_tpm_mean | ecoli-sources | rnaseq_rsem_tpm_mean.tsv | 287.8 | download ↗ |
| rna_seq_data__rnaseq_rsem_tpm_std | ecoli-sources | rnaseq_rsem_tpm_std.tsv | 345.7 | download ↗ |
| rna_seq_data__rnaseq_seal_rpkm_mean | ecoli-sources | rnaseq_seal_rpkm_mean.tsv | 304.2 | download ↗ |
| rna_seq_data__rnaseq_seal_rpkm_std | ecoli-sources | rnaseq_seal_rpkm_std.tsv | 350.9 | download ↗ |
| amino_acid_export_kms | ecoli-sources | amino_acid_export_kms.tsv | 1.1 | download ↗ |
| amino_acid_export_kms_removed | ecoli-sources | amino_acid_export_kms_removed.tsv | 0.1 | download ↗ |
| amino_acid_pathways | ecoli-sources | amino_acid_pathways.tsv | 5.8 | download ↗ |
| amino_acid_uptake_rates | ecoli-sources | amino_acid_uptake_rates.tsv | 0.9 | download ↗ |
| amino_acid_uptake_rates_removed | ecoli-sources | amino_acid_uptake_rates_removed.tsv | 0.1 | download ↗ |
| biomass | ecoli-sources | biomass.tsv | 4.6 | download ↗ |
| compartments | ecoli-sources | compartments.tsv | 0.2 | download ↗ |
| complexation_reactions | ecoli-sources | complexation_reactions.tsv | 130.1 | download ↗ |
| complexation_reactions_added | ecoli-sources | complexation_reactions_added.tsv | 0.3 | download ↗ |
| complexation_reactions_modified | ecoli-sources | complexation_reactions_modified.tsv | 0.7 | download ↗ |
| complexation_reactions_removed | ecoli-sources | complexation_reactions_removed.tsv | 2.7 | download ↗ |
| disabled_kinetic_reactions | ecoli-sources | disabled_kinetic_reactions.tsv | 1.7 | download ↗ |
| dna_sites | ecoli-sources | dna_sites.tsv | 284.0 | download ↗ |
| dna_supercoiling | ecoli-sources | dna_supercoiling.tsv | 0.1 | download ↗ |
| dry_mass_composition | ecoli-sources | dry_mass_composition.tsv | 0.8 | download ↗ |
| endoRNases | ecoli-sources | endoRNases.tsv | 0.2 | download ↗ |
| equilibrium_reactions_added | ecoli-sources | equilibrium_reactions_added.tsv | 1.4 | download ↗ |
| equilibrium_reactions_removed | ecoli-sources | equilibrium_reactions_removed.tsv | 6.7 | download ↗ |
| fold_changes | ecoli-sources | fold_changes.tsv | 22.1 | download ↗ |
| fold_changes_nca | ecoli-sources | fold_changes_nca.tsv | 74.7 | download ↗ |
| fold_changes_removed | ecoli-sources | fold_changes_removed.tsv | 3.8 | download ↗ |
| footprint_sizes | ecoli-sources | footprint_sizes.tsv | 0.1 | download ↗ |
| gene_fragments | ecoli-sources | gene_fragments.tsv | 2.6 | download ↗ |
| genes | ecoli-sources | genes.tsv | 399.5 | download ↗ |
| growth_rate_dependent_parameters | ecoli-sources | growth_rate_dependent_parameters.tsv | 0.6 | download ↗ |
| linked_metabolites | ecoli-sources | linked_metabolites.tsv | 0.4 | download ↗ |
| mass_parameters | ecoli-sources | mass_parameters.tsv | 0.6 | download ↗ |
| metabolic_reactions | ecoli-sources | metabolic_reactions.tsv | 1212.3 | download ↗ |
| metabolic_reactions_modified | ecoli-sources | metabolic_reactions_modified.tsv | 2.8 | download ↗ |
| metabolic_reactions_removed | ecoli-sources | metabolic_reactions_removed.tsv | 0.4 | download ↗ |
| metabolism_kinetics | ecoli-sources | metabolism_kinetics.tsv | 144.0 | download ↗ |
| metabolite_concentrations | ecoli-sources | metabolite_concentrations.tsv | 6.1 | download ↗ |
| metabolite_concentrations_removed | ecoli-sources | metabolite_concentrations_removed.tsv | 0.3 | download ↗ |
| metabolites | ecoli-sources | metabolites.tsv | 1484.1 | download ↗ |
| metabolites_added | ecoli-sources | metabolites_added.tsv | 0.6 | download ↗ |
| modified_proteins | ecoli-sources | modified_proteins.tsv | 2.5 | download ↗ |
| molecular_weight_keys | ecoli-sources | molecular_weight_keys.tsv | 0.1 | download ↗ |
| parameters | ecoli-sources | parameters.tsv | 2.6 | download ↗ |
| ppgpp_fc | ecoli-sources | ppgpp_fc.tsv | 364.5 | download ↗ |
| ppgpp_regulation | ecoli-sources | ppgpp_regulation.tsv | 9.9 | download ↗ |
| ppgpp_regulation_added | ecoli-sources | ppgpp_regulation_added.tsv | 1.7 | download ↗ |
| ppgpp_regulation_removed | ecoli-sources | ppgpp_regulation_removed.tsv | 0.1 | download ↗ |
| protein_half_lives_measured | ecoli-sources | protein_half_lives_measured.tsv | 0.4 | download ↗ |
| protein_half_lives_n_end_rule | ecoli-sources | protein_half_lives_n_end_rule.tsv | 0.6 | download ↗ |
| protein_half_lives_pulsed_silac | ecoli-sources | protein_half_lives_pulsed_silac.tsv | 26.3 | download ↗ |
| proteins | ecoli-sources | proteins.tsv | 1896.2 | download ↗ |
| relative_metabolite_concentrations | ecoli-sources | relative_metabolite_concentrations.tsv | 4.6 | download ↗ |
| rna_half_lives | ecoli-sources | rna_half_lives.tsv | 45.1 | download ↗ |
| rna_maturation_enzymes | ecoli-sources | rna_maturation_enzymes.tsv | 2.0 | download ↗ |
| rnas | ecoli-sources | rnas.tsv | 471.7 | download ↗ |
| rnaseq_basal_tpms | ecoli-sources | vecoli_m9_glucose_minus_aas.tsv | 142.3 | download ↗ |
| rnaseq_experimental_tpms | ecoli-sources | vecoli_m9_glucose_minus_aas.tsv | 142.3 | download ↗ |
| secretions | ecoli-sources | secretions.tsv | 1.0 | download ↗ |
| sequence | ecoli-sources | sequence.fasta | 4597.7 | download ↗ |
| sequence_motifs | ecoli-sources | sequence_motifs.tsv | 0.2 | download ↗ |
| tf_one_component_bound | ecoli-sources | tf_one_component_bound.tsv | 0.4 | download ↗ |
| transcription_factors | ecoli-sources | transcription_factors.tsv | 97.0 | download ↗ |
| transcription_units | ecoli-sources | transcription_units.tsv | 327.7 | download ↗ |
| transcription_units_added | ecoli-sources | transcription_units_added.tsv | 8.2 | download ↗ |
| transcription_units_modified | ecoli-sources | transcription_units_modified.tsv | 0.6 | download ↗ |
| transcription_units_removed | ecoli-sources | transcription_units_removed.tsv | 4.0 | download ↗ |
| transcriptional_attenuation | ecoli-sources | transcriptional_attenuation.tsv | 1.4 | download ↗ |
| transcriptional_attenuation_removed | ecoli-sources | transcriptional_attenuation_removed.tsv | 1.2 | download ↗ |
| translation_efficiency | ecoli-sources | translation_efficiency.tsv | 83.4 | download ↗ |
| trna_charging_reactions | ecoli-sources | trna_charging_reactions.tsv | 35.5 | download ↗ |
| trna_charging_reactions_added | ecoli-sources | trna_charging_reactions_added.tsv | 0.4 | download ↗ |
| trna_charging_reactions_removed | ecoli-sources | trna_charging_reactions_removed.tsv | 15.7 | download ↗ |
| two_component_system_templates | ecoli-sources | two_component_system_templates.tsv | 3.7 | download ↗ |
| two_component_systems | ecoli-sources | two_component_systems.tsv | 1.4 | download ↗ |
| rrna_options__remove_rrff__genes_removed | ecoli-sources | genes_removed.tsv | 0.2 | download ↗ |
| rrna_options__remove_rrff__mass_parameters_modified | ecoli-sources | mass_parameters_modified.tsv | 0.2 | download ↗ |
| rrna_options__remove_rrff__rnas_removed | ecoli-sources | rnas_removed.tsv | 0.2 | download ↗ |
| rrna_options__remove_rrff__transcription_units_modified | ecoli-sources | transcription_units_modified.tsv | 0.7 | download ↗ |
| rrna_options__remove_rrna_operons__transcription_units_added | ecoli-sources | transcription_units_added.tsv | 10.3 | download ↗ |
| rrna_options__remove_rrna_operons__transcription_units_removed | ecoli-sources | transcription_units_removed.tsv | 4.4 | download ↗ |
| trna_data__trna_data | ecoli-sources | trna_data.tsv | 3.4 | download ↗ |
| trna_data__trna_growth_rates | ecoli-sources | trna_growth_rates.tsv | 0.0 | download ↗ |
| trna_data__trna_ratio_to_16SrRNA_0p4 | ecoli-sources | trna_ratio_to_16SrRNA_0p4.tsv | 1.5 | download ↗ |
| trna_data__trna_ratio_to_16SrRNA_0p7 | ecoli-sources | trna_ratio_to_16SrRNA_0p7.tsv | 1.5 | download ↗ |
| trna_data__trna_ratio_to_16SrRNA_1p07 | ecoli-sources | trna_ratio_to_16SrRNA_1p07.tsv | 1.5 | download ↗ |
| trna_data__trna_ratio_to_16SrRNA_1p6 | ecoli-sources | trna_ratio_to_16SrRNA_1p6.tsv | 1.5 | download ↗ |
| trna_data__trna_ratio_to_16SrRNA_2p5 | ecoli-sources | trna_ratio_to_16SrRNA_2p5.tsv | 1.5 | download ↗ |
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.
135 canonical keys
3 diverged flat files
overrides win on merge
into raw_data structs
in a DAG composite
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
| Step | What it does |
|---|---|
| Step 1 — InitializeStep | Loads KnowledgeBaseEcoli raw flat-file tables; instantiates an empty SimulationDataEcoli; populates compartments, MW keys, base codes, and helper objects. |
| Step 2 — InputAdjustmentsStep | Applies optional gene-knockouts and expression adjustments from adjustments/ keys. |
| Step 3 — BasalSpecsStep | Fits basal transcription and translation parameters (RNA/protein fractions, elongation rates). Caches Km optimisation results to disk. |
| Step 4 — TfConditionSpecsStep | Fits per-TF-condition expression specs in parallel (--cpus controls fan-out). |
| Step 5 — FitConditionStep | Iterates promoter-binding/ribosome-capacity fitting per nutrient condition; the most CPU-intensive step (~60 min total). |
| Step 6 — PromoterBindingStep | Sets promoter-bound RNAP fractions using the fitted TF activities. |
| Step 7 — AdjustPromotersStep | Applies ppGpp-based promoter-expression adjustments. |
| Step 8 — SetConditionsStep | Writes per-condition biomass/mass targets into cell_specs; emits expected_dry_mass_increase_dict. |
| Step 9 — FinalAdjustmentsStep | Normalises 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.
| Metric | Value |
|---|---|
| Cistrons (gene models) | 4538 |
| RNA species | 3277 |
| Protein monomers | 4309 |
| Metabolic reactions (base) | 2820 |
| Bulk molecule species | 16321 |
| Avg cell dry mass (fg) | 452.87 |
| Doubling time (min) | 44.0 |
| Nutrient conditions | 51 |
| Mean translation efficiency | 1.1236 |
| Genome length (bp) | 4,641,652 |
4 Multi-ParCa variant comparison
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.
| Metric | default (operons on) | operons off |
|---|---|---|
| Cistrons (gene models) | 4538 | 4538 |
| RNA species | 3277 | 4538 |
| Protein monomers | 4309 | 4309 |
| Metabolic reactions (base) | 2820 | 2820 |
| Bulk molecule species | 16321 | 17426 |
| Avg cell dry mass (fg) | 452.87 | 452.87 |
| Doubling time (min) | 44.0 | 44.0 |
| Nutrient conditions | 51 | 51 |
| Mean translation efficiency | 1.1236 | 1.1236 |
| Genome length (bp) | 4,641,652 | 4,641,652 |