diff --git a/biosimulator_processes/utils.py b/biosimulator_processes/utils.py index c40e2e851..072627ac2 100644 --- a/biosimulator_processes/utils.py +++ b/biosimulator_processes/utils.py @@ -45,7 +45,7 @@ def generate_copasi_process_emitter_schema(): ) -def generate_composite_copasi_process_instance(instance_name: str, config: Dict, add_emitter: bool = True) -> Dict: +def generate_single_copasi_process_instance(instance_name: str, config: Dict, add_emitter: bool = True) -> Dict: """Generate an instance of a single copasi process which is named `instance_name` and configured by `config` formatted to the process bigraph Composite API. @@ -143,11 +143,39 @@ def generate_parameter_scan_instance( return instance +def generate_copasi_parameter_scan_instance( + num_iterations: int, + entry_config: Dict, + # *parameters +): + # TODO: select parameters + parameter_scan_instance = {} + origin_value = 3.00 + for n in range(num_iterations): + iteration_model_config = generate_sed_model_config_schema( + entrypoint={'biomodel_id': 'BIOMD0000000051'}, + species_changes={'Extracellular Glucose': {'initial_concentration': origin_value**n}}, + parameter_changes={'catp': {'initial_value': (origin_value - n)**n}} + ) + iteration_instance = generate_single_copasi_process_instance( + instance_name=f'copasi_{n}', + config=iteration_model_config + ) + for iter_name, iter_config in iteration_instance: + parameter_scan_instance[iter_name] = iteration_instance + + emitter_schema = generate_emitter_schema(floating_species='tree[float]', time='float') + parameter_scan_instance['emitter'] = emitter_schema + + return parameter_scan_instance + + + def generate_sed_model_config_schema( entrypoint: Dict, species_changes: Dict, parameter_changes: Dict, - reaction_changes: Dict + reaction_changes: Dict = None ) -> Dict: """ Args: @@ -163,7 +191,13 @@ def generate_sed_model_config_schema( 'reaction_scheme': 'A -> B' } - + Example: + sed_model = sed_schema( + entrypoint={'biomodel_id': 'BIOMD0000000051'}, + species_changes={'Extracellular Glucose': {'initial_concentration': 5.00}}, + parameter_changes={'catp': {'initial_value': 100.00}}, + reaction_changes={'Aldolase': {'scheme': 'A -> B'}} + ) """ instance_schema = { 'model': { @@ -186,5 +220,5 @@ def generate_sed_model_config_schema( return instance_schema -def perturb_parameter(param: str, degree: float): +def perturb_parameter(param: str, degree: float, config: Dict): pass diff --git a/notebooks/copasi_process_composer.ipynb b/notebooks/copasi_process_composer.ipynb index 124d717de..95eaeb449 100644 --- a/notebooks/copasi_process_composer.ipynb +++ b/notebooks/copasi_process_composer.ipynb @@ -16,8 +16,8 @@ "id": "initial_id", "metadata": { "ExecuteTime": { - "end_time": "2024-02-28T22:21:50.630537Z", - "start_time": "2024-02-28T22:21:50.627788Z" + "end_time": "2024-02-29T00:24:50.842140Z", + "start_time": "2024-02-29T00:24:50.838759Z" } }, "outputs": [], @@ -34,8 +34,8 @@ "metadata": { "collapsed": false, "ExecuteTime": { - "end_time": "2024-02-28T22:21:52.425406Z", - "start_time": "2024-02-28T22:21:50.700424Z" + "end_time": "2024-02-29T00:24:54.475947Z", + "start_time": "2024-02-29T00:24:52.257781Z" } }, "outputs": [ @@ -65,7 +65,113 @@ "metadata": { "collapsed": false }, - "id": "241f9f2d915e857c" + "id": "667d704c09df5e9b" + }, + { + "cell_type": "code", + "outputs": [ + { + "data": { + "text/plain": " compartment type unit \\\nname \nPhosphoenol pyruvate cytosol reactions mmol/l \nExtracellular Glucose extracellular reactions mmol/l \nGlucose-6-Phosphate cytosol reactions mmol/l \nPyruvate cytosol reactions mmol/l \nFructose-6-Phosphate cytosol reactions mmol/l \nGlucose-1-Phosphate cytosol reactions mmol/l \n6-Phosphogluconate cytosol reactions mmol/l \nFructose-1,6-bisphosphate cytosol reactions mmol/l \nsedoheptulose-7-phosphate cytosol reactions mmol/l \nGlyceraldehyde-3-Phosphate cytosol reactions mmol/l \nErythrose-4-phosphate cytosol reactions mmol/l \nXylulose-5-phosphate cytosol reactions mmol/l \nRibose-5-phosphate cytosol reactions mmol/l \nDihydroxyacetonephosphate cytosol reactions mmol/l \n1,3-diphosphosphoglycerate cytosol reactions mmol/l \n3-Phosphoglycerate cytosol reactions mmol/l \n2-Phosphoglycerate cytosol reactions mmol/l \nRibulose-5-phosphate cytosol reactions mmol/l \n\n initial_concentration initial_particle_number \\\nname \nPhosphoenol pyruvate 2.670 1.607912e+21 \nExtracellular Glucose 2.000 1.204428e+21 \nGlucose-6-Phosphate 3.480 2.095705e+21 \nPyruvate 2.670 1.607912e+21 \nFructose-6-Phosphate 0.600 3.613284e+20 \nGlucose-1-Phosphate 0.653 3.932458e+20 \n6-Phosphogluconate 0.808 4.865890e+20 \nFructose-1,6-bisphosphate 0.272 1.638022e+20 \nsedoheptulose-7-phosphate 0.276 1.662111e+20 \nGlyceraldehyde-3-Phosphate 0.218 1.312827e+20 \nErythrose-4-phosphate 0.098 5.901698e+19 \nXylulose-5-phosphate 0.138 8.310554e+19 \nRibose-5-phosphate 0.398 2.396812e+20 \nDihydroxyacetonephosphate 0.167 1.005698e+20 \n1,3-diphosphosphoglycerate 0.008 4.817713e+18 \n3-Phosphoglycerate 2.130 1.282716e+21 \n2-Phosphoglycerate 0.399 2.402834e+20 \nRibulose-5-phosphate 0.111 6.684576e+19 \n\n initial_expression expression concentration \\\nname \nPhosphoenol pyruvate 2.670 \nExtracellular Glucose 2.000 \nGlucose-6-Phosphate 3.480 \nPyruvate 2.670 \nFructose-6-Phosphate 0.600 \nGlucose-1-Phosphate 0.653 \n6-Phosphogluconate 0.808 \nFructose-1,6-bisphosphate 0.272 \nsedoheptulose-7-phosphate 0.276 \nGlyceraldehyde-3-Phosphate 0.218 \nErythrose-4-phosphate 0.098 \nXylulose-5-phosphate 0.138 \nRibose-5-phosphate 0.398 \nDihydroxyacetonephosphate 0.167 \n1,3-diphosphosphoglycerate 0.008 \n3-Phosphoglycerate 2.130 \n2-Phosphoglycerate 0.399 \nRibulose-5-phosphate 0.111 \n\n particle_number rate \\\nname \nPhosphoenol pyruvate 1.607912e+21 -6.037777e+00 \nExtracellular Glucose 1.204428e+21 -9.294452e-02 \nGlucose-6-Phosphate 2.095705e+21 6.037499e+00 \nPyruvate 1.607912e+21 6.037777e+00 \nFructose-6-Phosphate 3.613284e+20 -1.153453e-03 \nGlucose-1-Phosphate 3.932458e+20 -4.253893e-05 \n6-Phosphogluconate 4.865890e+20 -2.316249e-04 \nFructose-1,6-bisphosphate 1.638022e+20 1.133577e-03 \nsedoheptulose-7-phosphate 1.662111e+20 -1.956809e-11 \nGlyceraldehyde-3-Phosphate 1.312827e+20 -1.675967e-04 \nErythrose-4-phosphate 5.901698e+19 2.418223e-11 \nXylulose-5-phosphate 8.310554e+19 -8.786570e-12 \nRibose-5-phosphate 2.396812e+20 -5.827867e-12 \nDihydroxyacetonephosphate 1.005698e+20 -7.240676e-10 \n1,3-diphosphosphoglycerate 4.817713e+18 5.839285e-01 \n3-Phosphoglycerate 1.282716e+21 -5.489045e-01 \n2-Phosphoglycerate 2.402834e+20 -3.485382e-02 \nRibulose-5-phosphate 6.684576e+19 8.275300e-04 \n\n particle_number_rate key sbml_id \nname \nPhosphoenol pyruvate -3.636034e+21 Metabolite_0 cpep \nExtracellular Glucose -5.597250e+19 Metabolite_1 cglcex \nGlucose-6-Phosphate 3.635867e+21 Metabolite_2 cg6p \nPyruvate 3.636034e+21 Metabolite_3 cpyr \nFructose-6-Phosphate -6.946258e+17 Metabolite_4 cf6p \nGlucose-1-Phosphate -2.561754e+16 Metabolite_5 cg1p \n6-Phosphogluconate -1.394878e+17 Metabolite_6 cpg \nFructose-1,6-bisphosphate 6.826562e+17 Metabolite_7 cfdp \nsedoheptulose-7-phosphate -1.178418e+10 Metabolite_8 csed7p \nGlyceraldehyde-3-Phosphate -1.009291e+17 Metabolite_9 cgap \nErythrose-4-phosphate 1.456288e+10 Metabolite_10 ce4p \nXylulose-5-phosphate -5.291396e+09 Metabolite_11 cxyl5p \nRibose-5-phosphate -3.509623e+09 Metabolite_12 crib5p \nDihydroxyacetonephosphate -4.360437e+11 Metabolite_13 cdhap \n1,3-diphosphosphoglycerate 3.516500e+20 Metabolite_14 cpgp \n3-Phosphoglycerate -3.305580e+20 Metabolite_15 cpg3 \n2-Phosphoglycerate -2.098946e+19 Metabolite_16 cpg2 \nRibulose-5-phosphate 4.983502e+17 Metabolite_17 cribu5p ", + "text/html": "
\n | compartment | \ntype | \nunit | \ninitial_concentration | \ninitial_particle_number | \ninitial_expression | \nexpression | \nconcentration | \nparticle_number | \nrate | \nparticle_number_rate | \nkey | \nsbml_id | \n
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
name | \n\n | \n | \n | \n | \n | \n | \n | \n | \n | \n | \n | \n | \n |
Phosphoenol pyruvate | \ncytosol | \nreactions | \nmmol/l | \n2.670 | \n1.607912e+21 | \n\n | \n | 2.670 | \n1.607912e+21 | \n-6.037777e+00 | \n-3.636034e+21 | \nMetabolite_0 | \ncpep | \n
Extracellular Glucose | \nextracellular | \nreactions | \nmmol/l | \n2.000 | \n1.204428e+21 | \n\n | \n | 2.000 | \n1.204428e+21 | \n-9.294452e-02 | \n-5.597250e+19 | \nMetabolite_1 | \ncglcex | \n
Glucose-6-Phosphate | \ncytosol | \nreactions | \nmmol/l | \n3.480 | \n2.095705e+21 | \n\n | \n | 3.480 | \n2.095705e+21 | \n6.037499e+00 | \n3.635867e+21 | \nMetabolite_2 | \ncg6p | \n
Pyruvate | \ncytosol | \nreactions | \nmmol/l | \n2.670 | \n1.607912e+21 | \n\n | \n | 2.670 | \n1.607912e+21 | \n6.037777e+00 | \n3.636034e+21 | \nMetabolite_3 | \ncpyr | \n
Fructose-6-Phosphate | \ncytosol | \nreactions | \nmmol/l | \n0.600 | \n3.613284e+20 | \n\n | \n | 0.600 | \n3.613284e+20 | \n-1.153453e-03 | \n-6.946258e+17 | \nMetabolite_4 | \ncf6p | \n
Glucose-1-Phosphate | \ncytosol | \nreactions | \nmmol/l | \n0.653 | \n3.932458e+20 | \n\n | \n | 0.653 | \n3.932458e+20 | \n-4.253893e-05 | \n-2.561754e+16 | \nMetabolite_5 | \ncg1p | \n
6-Phosphogluconate | \ncytosol | \nreactions | \nmmol/l | \n0.808 | \n4.865890e+20 | \n\n | \n | 0.808 | \n4.865890e+20 | \n-2.316249e-04 | \n-1.394878e+17 | \nMetabolite_6 | \ncpg | \n
Fructose-1,6-bisphosphate | \ncytosol | \nreactions | \nmmol/l | \n0.272 | \n1.638022e+20 | \n\n | \n | 0.272 | \n1.638022e+20 | \n1.133577e-03 | \n6.826562e+17 | \nMetabolite_7 | \ncfdp | \n
sedoheptulose-7-phosphate | \ncytosol | \nreactions | \nmmol/l | \n0.276 | \n1.662111e+20 | \n\n | \n | 0.276 | \n1.662111e+20 | \n-1.956809e-11 | \n-1.178418e+10 | \nMetabolite_8 | \ncsed7p | \n
Glyceraldehyde-3-Phosphate | \ncytosol | \nreactions | \nmmol/l | \n0.218 | \n1.312827e+20 | \n\n | \n | 0.218 | \n1.312827e+20 | \n-1.675967e-04 | \n-1.009291e+17 | \nMetabolite_9 | \ncgap | \n
Erythrose-4-phosphate | \ncytosol | \nreactions | \nmmol/l | \n0.098 | \n5.901698e+19 | \n\n | \n | 0.098 | \n5.901698e+19 | \n2.418223e-11 | \n1.456288e+10 | \nMetabolite_10 | \nce4p | \n
Xylulose-5-phosphate | \ncytosol | \nreactions | \nmmol/l | \n0.138 | \n8.310554e+19 | \n\n | \n | 0.138 | \n8.310554e+19 | \n-8.786570e-12 | \n-5.291396e+09 | \nMetabolite_11 | \ncxyl5p | \n
Ribose-5-phosphate | \ncytosol | \nreactions | \nmmol/l | \n0.398 | \n2.396812e+20 | \n\n | \n | 0.398 | \n2.396812e+20 | \n-5.827867e-12 | \n-3.509623e+09 | \nMetabolite_12 | \ncrib5p | \n
Dihydroxyacetonephosphate | \ncytosol | \nreactions | \nmmol/l | \n0.167 | \n1.005698e+20 | \n\n | \n | 0.167 | \n1.005698e+20 | \n-7.240676e-10 | \n-4.360437e+11 | \nMetabolite_13 | \ncdhap | \n
1,3-diphosphosphoglycerate | \ncytosol | \nreactions | \nmmol/l | \n0.008 | \n4.817713e+18 | \n\n | \n | 0.008 | \n4.817713e+18 | \n5.839285e-01 | \n3.516500e+20 | \nMetabolite_14 | \ncpgp | \n
3-Phosphoglycerate | \ncytosol | \nreactions | \nmmol/l | \n2.130 | \n1.282716e+21 | \n\n | \n | 2.130 | \n1.282716e+21 | \n-5.489045e-01 | \n-3.305580e+20 | \nMetabolite_15 | \ncpg3 | \n
2-Phosphoglycerate | \ncytosol | \nreactions | \nmmol/l | \n0.399 | \n2.402834e+20 | \n\n | \n | 0.399 | \n2.402834e+20 | \n-3.485382e-02 | \n-2.098946e+19 | \nMetabolite_16 | \ncpg2 | \n
Ribulose-5-phosphate | \ncytosol | \nreactions | \nmmol/l | \n0.111 | \n6.684576e+19 | \n\n | \n | 0.111 | \n6.684576e+19 | \n8.275300e-04 | \n4.983502e+17 | \nMetabolite_17 | \ncribu5p | \n
\n | type | \nunit | \ninitial_value | \ninitial_expression | \nexpression | \nvalue | \nrate | \nkey | \nsbml_id | \n
---|---|---|---|---|---|---|---|---|---|
name | \n\n | \n | \n | \n | \n | \n | \n | \n | \n |
catp | \nassignment | \nmmol/l | \n4.270000 | \n\n | 4.2699999999999996 - 4.1630000000000003 * ( Ti... | \n4.270000 | \nNaN | \nModelValue_0 | \ncatp | \n
cadp | \nassignment | \nmmol/l | \n0.582000 | \n\n | 0.58199999999999996 + 1.73 * 2.730999999999999... | \n0.582000 | \nNaN | \nModelValue_1 | \ncadp | \n
camp | \nassignment | \nmmol/l | \n0.954783 | \n\n | 0.123 + 7.25 * ( Time / ( 7.25 + 1.47 * Time +... | \n0.954783 | \nNaN | \nModelValue_2 | \ncamp | \n
cnadp | \nassignment | \nmmol/l | \n0.196759 | \n\n | 0.159 - 0.0055399999999999998 * ( Time / ( 2.7... | \n0.196759 | \nNaN | \nModelValue_3 | \ncnadp | \n
cnadph | \nassignment | \nmmol/l | \n0.062000 | \n\n | 0.062 + 0.33200000000000002 * 2.718 ^ ( - 0.46... | \n0.062000 | \nNaN | \nModelValue_4 | \ncnadph | \n
cnad | \nassignment | \nmmol/l | \n1.464399 | \n\n | 1.3140000000000001 + 1.3140000000000001 * 2.73... | \n1.464399 | \nNaN | \nModelValue_5 | \ncnad | \n
cnadh | \nassignment | \nmmol/l | \n0.093400 | \n\n | 0.093399999999999997 + 0.0011100000000000001 *... | \n0.093400 | \nNaN | \nModelValue_6 | \ncnadh | \n
\n | scheme | \nflux | \nparticle_flux | \nfunction | \nkey | \nsbml_id | \nmapping | \n
---|---|---|---|---|---|---|---|
name | \n\n | \n | \n | \n | \n | \n | \n |
Phosphotransferase system | \n\"Extracellular Glucose\" + 65 * \"Phosphoenol py... | \n9.597360e-02 | \n5.779665e+19 | \nFunction for Phosphotransferase system | \nReaction_0 | \nvPTS | \n{'KPTSa1': 3082.3, 'KPTSa2': 0.01, 'KPTSa3': 2... | \n
Glucose-6-phosphate isomerase | \nGlucose-6-Phosphate = Fructose-6-Phosphate; 6... | \n5.837679e-02 | \n3.515532e+19 | \nFunction for Glucose-6-phosphate isomerase | \nReaction_1 | \nvPGI | \n{'KPGIeq': 0.1725, 'KPGIf6p': 0.266, 'KPGIf6pp... | \n
Phosphoglucomutase | \nGlucose-6-Phosphate = Glucose-1-Phosphate | \n2.292288e-03 | \n1.380448e+18 | \nFunction for Phosphoglucomutase | \nReaction_2 | \nvPGM | \n{'KPGMeq': 0.196, 'KPGMg1p': 0.0136, 'KPGMg6p'... | \n
Glucose-6-phosphate dehydrogenase | \nGlucose-6-Phosphate = 6-Phosphogluconate | \n1.400197e-01 | \n8.432183e+19 | \nFunction for Glucose-6-phosphate dehydrogenase | \nReaction_3 | \nvG6PDH | \n{'KG6PDHg6p': 14.4, 'KG6PDHnadp': 0.0246, 'KG6... | \n
Phosphofructokinase | \nFructose-6-Phosphate = Fructose-1,6-bisphospha... | \n1.423843e-01 | \n8.574585e+19 | \nFunction for Phosphofructokinase | \nReaction_4 | \nvPFK | \n{'KPFKadpa': 128.0, 'KPFKadpb': 3.89, 'KPFKadp... | \n
Transaldolase | \nGlyceraldehyde-3-Phosphate + sedoheptulose-7-p... | \n4.531300e-02 | \n2.728813e+19 | \nFunction for Transaldolase | \nReaction_5 | \nvTA | \n{'KTAeq': 1.05, 'ce4p': 'Erythrose-4-phosphate... | \n
Transketolase a | \nRibose-5-phosphate + Xylulose-5-phosphate = Gl... | \n4.532067e-02 | \n2.729275e+19 | \nFunction for Transketolase a | \nReaction_6 | \nvTKA | \n{'KTKaeq': 1.2, 'cgap': 'Glyceraldehyde-3-Phos... | \n
Transketolase b | \nErythrose-4-phosphate + Xylulose-5-phosphate =... | \n3.843200e-02 | \n2.314429e+19 | \nFunction for Transketolase b | \nReaction_7 | \nvTKB | \n{'KTKbeq': 10.0, 'ce4p': 'Erythrose-4-phosphat... | \n
Mureine synthesis | \n2 * Fructose-6-Phosphate = | \n4.371100e-04 | \n2.632338e+17 | \nConstant flux (reversible) | \nReaction_8 | \nvMURSyNTH | \n{'v': 0.00043711} | \n
Aldolase | \nFructose-1,6-bisphosphate = Dihydroxyacetoneph... | \n1.412432e-01 | \n8.505864e+19 | \nFunction for Aldolase | \nReaction_9 | \nvALDO | \n{'VALDOblf': 2.0, 'cdhap': 'Dihydroxyacetoneph... | \n
Glyceraldehyde-3-phosphate dehydrogenase | \nGlyceraldehyde-3-Phosphate = 1,3-diphosphospho... | \n3.204571e-01 | \n1.929838e+20 | \nFunction for Glyceraldehyde-3-phosphate dehydr... | \nReaction_10 | \nvGAPDH | \n{'KGAPDHeq': 0.63, 'KGAPDHgap': 0.683, 'KGAPDH... | \n
Triosephosphate isomerase | \nDihydroxyacetonephosphate = Glyceraldehyde-3-P... | \n1.395757e-01 | \n8.405442e+19 | \nFunction for Triosephosphate isomerase | \nReaction_11 | \nvTIS | \n{'cdhap': 'Dihydroxyacetonephosphate', 'cgap':... | \n
Tryptophan synthesis | \n= Pyruvate + Glyceraldehyde-3-Phosphate | \n1.037000e-03 | \n6.244960e+17 | \nConstant flux (reversible) | \nReaction_12 | \nvTRPSYNTH | \n{'v': 0.001037} | \n
Glycerol-3-phosphate dehydrogenase | \nDihydroxyacetonephosphate = | \n1.662906e-03 | \n1.001425e+18 | \nFunction for Glycerol-3-phosphate dehydrogenase | \nReaction_13 | \nvG3PDH | \n{'KG3PDHdhap': 1.0, 'cdhap': 'Dihydroxyacetone... | \n
Phosphoglycerate kinase | \n1,3-diphosphosphoglycerate = 3-Phosphoglycerate | \n-2.634717e-01 | \n-1.586664e+20 | \nFunction for Phosphoglycerate kinase | \nReaction_14 | \nvPGK | \n{'KPGKadp': 0.185, 'KPGKatp': 0.653, 'KPGKeq':... | \n
Serine synthesis | \n3-Phosphoglycerate = | \n1.749738e-02 | \n1.053717e+19 | \nFunction for Serine synthesis | \nReaction_15 | \nvsersynth | \n{'KSerSynthpg3': 1.0, 'cpg3': '3-Phosphoglycer... | \n
Phosphoglycerate mutase | \n3-Phosphoglycerate = 2-Phosphoglycerate | \n2.678762e-01 | \n1.613188e+20 | \nFunction for Phosphoglycerate mutase | \nReaction_16 | \nvrpGluMu | \n{'KPGluMueq': 0.188, 'KPGluMupg2': 0.369, 'KPG... | \n
Enolase | \n2-Phosphoglycerate = \"Phosphoenol pyruvate\" | \n3.027189e-01 | \n1.823016e+20 | \nFunction for Enolase | \nReaction_17 | \nvENO | \n{'KENOeq': 6.73, 'KENOpep': 0.135, 'KENOpg2': ... | \n
Pyruvate kinase | \n\"Phosphoenol pyruvate\" = Pyruvate; Fructose-1... | \n3.785586e-02 | \n2.279733e+19 | \nFunction for Pyruvate kinase | \nReaction_18 | \nvPK | \n{'KPKadp': 0.26, 'KPKamp': 0.2, 'KPKatp': 22.5... | \n
PEP carboxylase | \n\"Phosphoenol pyruvate\" = ; Fructose-1,6-bisph... | \n4.318788e-02 | \n2.600835e+19 | \nFunction for PEP carboxylase | \nReaction_19 | \nvpepCxylase | \n{'KpepCxylasefdp': 0.7, 'KpepCxylasepep': 4.07... | \n
Synthesis 1 | \n\"Phosphoenol pyruvate\" = | \n1.421500e-02 | \n8.560473e+18 | \nFunction for Synthesis 1 | \nReaction_20 | \nvSynth1 | \n{'KSynth1pep': 1.0, 'cpep': '\"Phosphoenol pyru... | \n
Synthesis 2 | \nPyruvate = | \n5.355900e-02 | \n3.225398e+19 | \nFunction for Synthesis 2 | \nReaction_21 | \nvSynth2 | \n{'KSynth2pyr': 1.0, 'cpyr': 'Pyruvate', 'rmaxS... | \n
DAHP synthesis | \nErythrose-4-phosphate + \"Phosphoenol pyruvate\" = | \n6.878276e-03 | \n4.142194e+18 | \nFunction for DAHP synthesis | \nReaction_22 | \nvDAHPS | \n{'KDAHPSe4p': 0.035, 'KDAHPSpep': 0.0053, 'ce4... | \n
Pyruvate dehydrogenase | \nPyruvate = | \n1.880300e-01 | \n1.132343e+20 | \nFunction for Pyruvate dehydrogenase | \nReaction_23 | \nvPDH | \n{'KPDHpyr': 1159.0, 'cpyr': 'Pyruvate', 'nPDH'... | \n
Methionine synthesis | \n= Pyruvate | \n2.262700e-03 | \n1.362630e+18 | \nConstant flux (reversible) | \nReaction_24 | \nvMethSynth | \n{'v': 0.0022627} | \n
6-Phosphogluconate dehydrogenase | \n6-Phosphogluconate = Ribulose-5-phosphate | \n1.402289e-01 | \n8.444779e+19 | \nFunction for 6-Phosphogluconate dehydrogenase | \nReaction_25 | \nvPGDH | \n{'KPGDHatpinh': 208.0, 'KPGDHnadp': 0.0506, 'K... | \n
Ribose-phosphate isomerase | \nRibulose-5-phosphate = Ribose-5-phosphate | \n5.564174e-02 | \n3.350824e+19 | \nFunction for Ribose-phosphate isomerase | \nReaction_26 | \nvR5PI | \n{'KR5PIeq': 4.0, 'crib5p': 'Ribose-5-phosphate... | \n
Ribulose-phosphate epimerase | \nRibulose-5-phosphate = Xylulose-5-phosphate | \n8.375651e-02 | \n5.043935e+19 | \nFunction for Ribulose-phosphate epimerase | \nReaction_27 | \nvRu5P | \n{'KRu5Peq': 1.4, 'cribu5p': 'Ribulose-5-phosph... | \n
Ribose phosphate pyrophosphokinase | \nRibose-5-phosphate = | \n1.031000e-02 | \n6.208827e+18 | \nFunction for Ribose phosphate pyrophosphokinase | \nReaction_28 | \nvPPK | \n{'KRPPKrib5p': 0.1, 'crib5p': 'Ribose-5-phosph... | \n
Glucose-1-phosphate adenyltransferase | \nGlucose-1-Phosphate = ; Fructose-1,6-bisphosp... | \n2.316673e-03 | \n1.395133e+18 | \nFunction for Glucose-1-phosphate adenyltransfe... | \nReaction_29 | \nvG1PAT | \n{'KG1PATatp': 4.42, 'KG1PATfdp': 0.119, 'KG1PA... | \n
G6P degradation | \nGlucose-6-Phosphate = | \n9.674400e-05 | \n5.826060e+16 | \nFunction for G6P degradation | \nReaction_30 | \nvG6P | \n{'cg6p': 'Glucose-6-Phosphate', 'mu': 2.78e-05} | \n
F6P degradation | \nFructose-6-Phosphate = | \n1.668000e-05 | \n1.004493e+16 | \nFunction for F6P degradation | \nReaction_31 | \nvf6P | \n{'cf6p': 'Fructose-6-Phosphate', 'mu': 2.78e-05} | \n
FDP degradation | \nFructose-1,6-bisphosphate = | \n7.561600e-06 | \n4.553702e+15 | \nFunction for FDP degradation | \nReaction_32 | \nvfdP | \n{'cfdp': 'Fructose-1,6-bisphosphate', 'mu': 2.... | \n
GAP degradation | \nGlyceraldehyde-3-Phosphate = | \n6.060400e-06 | \n3.649658e+15 | \nFunction for GAP degradation | \nReaction_33 | \nvGAP | \n{'cgap': 'Glyceraldehyde-3-Phosphate', 'mu': 2... | \n
DHAP degradation | \nDihydroxyacetonephosphate = | \n4.642600e-06 | \n2.795839e+15 | \nFunction for DHAP degradation | \nReaction_34 | \nvDHAP | \n{'cdhap': 'Dihydroxyacetonephosphate', 'mu': 2... | \n
PGP degradation | \n1,3-diphosphosphoglycerate = | \n2.224000e-07 | \n1.339324e+14 | \nFunction for PGP degradation | \nReaction_35 | \nvPGP | \n{'cpgp': '1,3-diphosphosphoglycerate', 'mu': 2... | \n
PG3 degradation | \n3-Phosphoglycerate = | \n5.921400e-05 | \n3.565950e+16 | \nFunction for PG3 degradation | \nReaction_36 | \nvPG3 | \n{'cpg3': '3-Phosphoglycerate', 'mu': 2.78e-05} | \n
PG2 degradation | \n2-Phosphoglycerate = | \n1.109220e-05 | \n6.679879e+15 | \nFunction for PG2 degradation | \nReaction_37 | \nvpg2 | \n{'cpg2': '2-Phosphoglycerate', 'mu': 2.78e-05} | \n
PEP degradation | \n\"Phosphoenol pyruvate\" = | \n7.422600e-05 | \n4.469994e+16 | \nFunction for PEP degradation | \nReaction_38 | \nvPEP | \n{'cpep': '\"Phosphoenol pyruvate\"', 'mu': 2.78e... | \n
Ribu5P dilution | \nRibulose-5-phosphate = | \n3.085800e-06 | \n1.858312e+15 | \nFunction for Ribu5P dilution | \nReaction_39 | \nvRibu5p | \n{'cribu5p': 'Ribulose-5-phosphate', 'mu': 2.78... | \n
Rib5P dilution | \nRibose-5-phosphate = | \n1.106440e-05 | \n6.663137e+15 | \nFunction for Rib5P dilution | \nReaction_40 | \nvRIB5P | \n{'crib5p': 'Ribose-5-phosphate', 'mu': 2.78e-05} | \n
XYL5P dilution | \nXylulose-5-phosphate = | \n3.836400e-06 | \n2.310334e+15 | \nFunction for XYL5P dilution | \nReaction_41 | \nvXYL5P | \n{'cxyl5p': 'Xylulose-5-phosphate', 'mu': 2.78e... | \n
SED7P dilution | \nsedoheptulose-7-phosphate = | \n7.672800e-06 | \n4.620668e+15 | \nFunction for SED7P dilution | \nReaction_42 | \nvSED7P | \n{'csed7p': 'sedoheptulose-7-phosphate', 'mu': ... | \n
Pyruvate dilution | \nPyruvate = | \n7.422600e-05 | \n4.469994e+16 | \nFunction for Pyruvate dilution | \nReaction_43 | \nvpyr | \n{'cpyr': 'Pyruvate', 'mu': 2.78e-05} | \n
PG dilution | \n6-Phosphogluconate = | \n2.246240e-05 | \n1.352717e+16 | \nFunction for PG dilution | \nReaction_44 | \nvPG | \n{'cpg': '6-Phosphogluconate', 'mu': 2.78e-05} | \n
E4P dilution | \nErythrose-4-phosphate = | \n2.724400e-06 | \n1.640672e+15 | \nFunction for E4P dilution | \nReaction_45 | \nvE4P | \n{'ce4p': 'Erythrose-4-phosphate', 'mu': 2.78e-05} | \n
GLP dilution | \nGlucose-1-Phosphate = | \n1.815340e-05 | \n1.093223e+16 | \nFunction for GLP dilution | \nReaction_46 | \nvGLP | \n{'cg1p': 'Glucose-1-Phosphate', 'mu': 2.78e-05} | \n
Extracellular glucose kinetics | \n= \"Extracellular Glucose\" | \n3.029088e-03 | \n1.824159e+18 | \nFunction for Extracellular glucose kinetics | \nReaction_47 | \nvEXTER | \n{'Dil': 2.78e-05, 'cfeed': 110.96, 'cglcex': '... | \n