Users primarily interested in using cameo as a tool
for enumerating metabolic engineering strategies have access to cameo's advanced programming interface via cameo.api
that provides access to potential products (cameo.api.products
), host organisms (cameo.api.hosts
) and
a configurable design function (cameo.api.design
). Running cameo.api.design
requires only minimal input and will run the following workflow.
Import the advanced interface.
In [1]:
from cameo import api
Search by trivial name.
In [2]:
api.products.search('caffeine')
Out[2]:
InChI
SMILES
charge
formula
mass
name
source
search_rank
MNXM680
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)...
CN1C=NC2=C1C(=O)N(C)C(=O)N2C
0
C8H10N4O2
194.1906
caffeine
chebi:27732
0
Search by ChEBI ID.
In [3]:
api.products.search('chebi:27732')
Out[3]:
InChI
SMILES
charge
formula
mass
name
source
search_rank
MNXM680
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)...
CN1C=NC2=C1C(=O)N(C)C(=O)N2C
0
C8H10N4O2
194.1906
caffeine
chebi:27732
0
Currently the following host organisms and respective models are available in cameo. More hosts and models will be added in the future (please get in touch with us if you'd like to get a particular host organism included).
In [4]:
for host in api.hosts:
for model in host.models:
print(host.name, model.id)
Escherichia coli iJO1366
Saccharomyces cerevisiae iMM904
For demonstration purposes, we'll set a few options to limit the computational time. Also we'll create a multiprocessing view to take advantage of multicore CPUs (strain design algorithms will be run in parallel for individually predicted heterologous pathways).
In [5]:
from cameo.parallel import MultiprocessingView
mp_view = MultiprocessingView()
Limit the number of predicted heterlogous pathways to 4.
In [6]:
api.design.options.max_pathway_predictions = 4
Set a time limit of 30 minutes on individual heuristic optimizations.
In [7]:
api.design.options.heuristic_optimization_timeout = 30
In [8]:
report = api.design(product='vanillin', view=mp_view)
Starting searching for compound vanillin
Found 1 compounds that match query 'vanillin'
Id
Name
Formula
MNXM754 vanillin C8H8O3
Choosing best match (vanillin) ... please interrupt if this is not the desired compound.
Predicting pathways for product vanillin in Escherichia coli (using model iJO1366).
Pathway 1
equation
lower_bound
upper_bound
MNXR5340
H(+) + NADH + O2 + vanillate <=> H2O + 3,4-dih...
-1000
1000
MNXR5336
2.0 H(+) + NADH + vanillate <=> H2O + vanillin...
-1000
1000
MNXR2795
S-adenosyl-L-methionine + glycine <=> H(+) + S...
-1000
1000
MNXR68718
H2O + 3,4-dihydroxybenzoate <=> 3-dehydroshiki...
-1000
1000
Max flux: 4.29196
Pathway 2
equation
lower_bound
upper_bound
MNXR5340
H(+) + NADH + O2 + vanillate <=> H2O + 3,4-dih...
-1000
1000
MNXR5336
2.0 H(+) + NADH + vanillate <=> H2O + vanillin...
-1000
1000
MNXR84169
(6R)-5,10-methylenetetrahydrofolate + glycine ...
-1000
1000
MNXR68718
H2O + 3,4-dihydroxybenzoate <=> 3-dehydroshiki...
-1000
1000
Max flux: 7.28363
Pathway 3
equation
lower_bound
upper_bound
MNXR5340
H(+) + NADH + O2 + vanillate <=> H2O + 3,4-dih...
-1000
1000
MNXR5336
2.0 H(+) + NADH + vanillate <=> H2O + vanillin...
-1000
1000
MNXR68718
H2O + 3,4-dihydroxybenzoate <=> 3-dehydroshiki...
-1000
1000
MNXR651
2.0 H(+) + NADH + formate <=> H2O + formaldehy...
-1000
1000
Max flux: 7.58479
Pathway 4
equation
lower_bound
upper_bound
MNXR5340
H(+) + NADH + O2 + vanillate <=> H2O + 3,4-dih...
-1000
1000
MNXR5336
2.0 H(+) + NADH + vanillate <=> H2O + vanillin...
-1000
1000
MNXR230
H(+) + 4-hydroxybenzoate + O2 + NADPH <=> H2O ...
-1000
1000
MNXR640
methanol + NAD(+) <=> H(+) + NADH + formaldehyde
-1000
1000
This is the format of your plot grid:
[ (1,1) x1,y1 ] [ (1,2) x2,y2 ]
[ (2,1) x3,y3 ] [ (2,2) x4,y4 ]
Predicting pathways for product vanillin in Saccharomyces cerevisiae (using model iMM904).
Pathway 1
equation
lower_bound
upper_bound
MNXR5340
H(+) + NADH + O2 + vanillate <=> H2O + 3,4-dih...
-1000
1000
MNXR5336
2.0 H(+) + NADH + vanillate <=> H2O + vanillin...
-1000
1000
MNXR68718
H2O + 3,4-dihydroxybenzoate <=> 3-dehydroshiki...
-1000
1000
Max flux: 3.36842
Pathway 2
equation
lower_bound
upper_bound
MNXR5340
H(+) + NADH + O2 + vanillate <=> H2O + 3,4-dih...
-1000
1000
MNXR5336
2.0 H(+) + NADH + vanillate <=> H2O + vanillin...
-1000
1000
MNXR230
H(+) + 4-hydroxybenzoate + O2 + NADPH <=> H2O ...
-1000
1000
Max flux: 1.90533
Pathway 3
equation
lower_bound
upper_bound
MNXR4008
H(+) + 3-oxoadipate <=> H2O + 5-oxo-4,5-dihydr...
-1000
1000
MNXR184
3-oxoadipyl-CoA + succinate <=> 3-oxoadipate +...
-1000
1000
MNXR5340
H(+) + NADH + O2 + vanillate <=> H2O + 3,4-dih...
-1000
1000
MNXR5336
2.0 H(+) + NADH + vanillate <=> H2O + vanillin...
-1000
1000
MNXR228
CO2 + 5-oxo-4,5-dihydro-2-furylacetate <=> H(+...
-1000
1000
MNXR4119
2.0 H(+) + 3-carboxy-cis,cis-muconate <=> 3,4-...
-1000
1000
MNXR209
CoA + 3-oxoadipyl-CoA <=> acetyl-CoA + succiny...
-1000
1000
MNXR3655
2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoate ...
-1000
1000
Max flux: 5.59223
This is the format of your plot grid:
[ (1,1) x1,y1 ] [ (1,2) x2,y2 ]
[ (2,1) x3,y3 ] [ (2,2) x4,y4 ]
Optimizing 6 pathways
Starting optimization at Tue, 06 Feb 2018 14:06:57
Starting optimization at Tue, 06 Feb 2018 14:07:50
Starting optimization at Tue, 06 Feb 2018 14:07:57
Starting optimization at Tue, 06 Feb 2018 14:07:58
Finished after 00:32:09
Starting optimization at Tue, 06 Feb 2018 14:39:37
Finished after 00:33:45
Finished after 00:33:43
Finished after 00:33:43
Starting optimization at Tue, 06 Feb 2018 14:41:56
Finished after 00:30:09
Finished after 00:30:02
/Users/joaca/Documents/repositories/cameo/cameo/strain_design/heuristic/evolutionary/objective_functions.py:287: RuntimeWarning:
invalid value encountered in double_scalars
/Users/joaca/Documents/repositories/cameo/cameo/strain_design/heuristic/evolutionary/objective_functions.py:354: RuntimeWarning:
invalid value encountered in double_scalars
In [9]:
report
Out[9]:
host
model
manipulations
heterologous_pathway
fitness
yield
product
biomass
method
0
Saccharomyces cerevisiae
iMM904
(-YPL110C)
(+reaction.MNXR4008#metanetx:MNXR4008, +reacti...
0.000043
0.000199
0.001489
2.879114e-01
PathwayPredictor+OptGene
1
Escherichia coli
iJO1366
(-reaction.3OAR140, -reaction.3OAS140, -reacti...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.000000
0.572262
4.291964
8.136452e-08
PathwayPredictor+DifferentialFVA
2
Escherichia coli
iJO1366
(-reaction.3OAR140, -reaction.3OAS140, -reacti...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.000000
0.000000
0.000000
0.000000e+00
PathwayPredictor+DifferentialFVA
3
Escherichia coli
iJO1366
(reaction.3OAR140(value=0.01699), reaction.3OA...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.000000
0.508185
3.351657
0.000000e+00
PathwayPredictor+DifferentialFVA
4
Escherichia coli
iJO1366
(reaction.3OAR140(value=0.025534), reaction.3O...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.093738
0.381679
2.862596
3.274580e-01
PathwayPredictor+DifferentialFVA
5
Escherichia coli
iJO1366
(reaction.3OAR140(value=0.034045), reaction.3O...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.000000
0.475180
3.563847
0.000000e+00
PathwayPredictor+DifferentialFVA
6
Escherichia coli
iJO1366
(reaction.3OAR140(value=0.042474), reaction.3O...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.104223
0.254625
1.909686
5.457622e-01
PathwayPredictor+DifferentialFVA
7
Escherichia coli
iJO1366
(reaction.3OAR140(value=0.050969), reaction.3O...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.093864
0.191097
1.433230
6.549146e-01
PathwayPredictor+DifferentialFVA
8
Escherichia coli
iJO1366
()
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.000000
0.000000
0.000000
9.823718e-01
PathwayPredictor+DifferentialFVA
9
Escherichia coli
iJO1366
()
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
-0.000000
0.000000
0.000000
9.823718e-01
PathwayPredictor+DifferentialFVA
10
Escherichia coli
iJO1366
(-reaction.3OAR140, -reaction.3OAS140, -reacti...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.000000
0.971150
7.283628
0.000000e+00
PathwayPredictor+DifferentialFVA
11
Escherichia coli
iJO1366
(-reaction.3OAR140, -reaction.3OAS140, -reacti...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
NaN
NaN
0.000000
0.000000e+00
PathwayPredictor+DifferentialFVA
12
Escherichia coli
iJO1366
(-reaction.3OAR140, -reaction.3OAS140, -reacti...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
NaN
NaN
0.000000
0.000000e+00
PathwayPredictor+DifferentialFVA
13
Escherichia coli
iJO1366
(-reaction.3OAR140, -reaction.3OAS140, -reacti...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
NaN
NaN
-0.000000
0.000000e+00
PathwayPredictor+DifferentialFVA
14
Escherichia coli
iJO1366
(-reaction.3OAR140, -reaction.3OAS140, -reacti...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
NaN
NaN
0.000000
0.000000e+00
PathwayPredictor+DifferentialFVA
15
Escherichia coli
iJO1366
(reaction.3OAR140(value=0.042474), reaction.3O...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.178214
0.435389
3.265417
5.457622e-01
PathwayPredictor+DifferentialFVA
16
Escherichia coli
iJO1366
(reaction.3OAR140(value=0.050969), reaction.3O...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.160501
0.326762
2.450714
6.549146e-01
PathwayPredictor+DifferentialFVA
17
Escherichia coli
iJO1366
()
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.000000
0.000000
0.000000
9.823718e-01
PathwayPredictor+DifferentialFVA
18
Escherichia coli
iJO1366
()
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
-0.000000
0.000000
0.000000
9.823718e-01
PathwayPredictor+DifferentialFVA
19
Escherichia coli
iJO1366
(-reaction.3OAR140, -reaction.3OAS140, -reacti...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.000000
1.011305
7.584790
0.000000e+00
PathwayPredictor+DifferentialFVA
20
Escherichia coli
iJO1366
(-reaction.3OAR140, -reaction.3OAS140, -reacti...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
NaN
NaN
-0.000000
0.000000e+00
PathwayPredictor+DifferentialFVA
21
Escherichia coli
iJO1366
(-reaction.3OAR140, -reaction.3OAS140, -reacti...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
NaN
NaN
0.000000
0.000000e+00
PathwayPredictor+DifferentialFVA
22
Escherichia coli
iJO1366
(reaction.3OAR140(value=0.025485), reaction.3O...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
NaN
NaN
NaN
NaN
PathwayPredictor+DifferentialFVA
23
Escherichia coli
iJO1366
(reaction.3OAR140(value=0.034045), reaction.3O...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.000000
0.668001
4.390359
0.000000e+00
PathwayPredictor+DifferentialFVA
24
Escherichia coli
iJO1366
(reaction.3OAR140(value=0.042474), reaction.3O...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.185581
0.453387
3.400405
5.457622e-01
PathwayPredictor+DifferentialFVA
25
Escherichia coli
iJO1366
(reaction.3OAR140(value=0.050969), reaction.3O...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.167136
0.340270
2.552028
6.549146e-01
PathwayPredictor+DifferentialFVA
26
Escherichia coli
iJO1366
()
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
-0.000000
0.000000
0.000000
9.823718e-01
PathwayPredictor+DifferentialFVA
27
Escherichia coli
iJO1366
()
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
-0.000000
0.000000
0.000000
9.823718e-01
PathwayPredictor+DifferentialFVA
28
Saccharomyces cerevisiae
iMM904
(-reaction.13GS, -reaction.2OXOADPtim, -reacti...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.000000
0.449123
3.368421
5.205722e-09
PathwayPredictor+DifferentialFVA
29
Saccharomyces cerevisiae
iMM904
(-reaction.13GS, -reaction.2OXOADPtim, -reacti...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
NaN
NaN
0.000000
4.984455e-12
PathwayPredictor+DifferentialFVA
30
Saccharomyces cerevisiae
iMM904
(reaction.13GS(value=0.072594), reaction.2DDA7...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
NaN
NaN
NaN
NaN
PathwayPredictor+DifferentialFVA
31
Saccharomyces cerevisiae
iMM904
(reaction.13GS(value=0.108891), reaction.2DDA7...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
NaN
NaN
NaN
NaN
PathwayPredictor+DifferentialFVA
32
Saccharomyces cerevisiae
iMM904
(reaction.13GS(value=0.145187), reaction.2DDA7...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
NaN
NaN
NaN
NaN
PathwayPredictor+DifferentialFVA
33
Saccharomyces cerevisiae
iMM904
(reaction.13GS(value=0.181484), reaction.2DDA7...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
NaN
NaN
NaN
NaN
PathwayPredictor+DifferentialFVA
34
Saccharomyces cerevisiae
iMM904
(reaction.13GS(value=0.217781), reaction.2DDA7...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
NaN
NaN
NaN
NaN
PathwayPredictor+DifferentialFVA
35
Saccharomyces cerevisiae
iMM904
(-reaction.SULR, -reaction.THRS, -reaction.TMD...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.000000
-0.000000
-0.000000
0.000000e+00
PathwayPredictor+DifferentialFVA
36
Saccharomyces cerevisiae
iMM904
(-reaction.ENO, -reaction.ERGSTter, -reaction....
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
NaN
NaN
NaN
NaN
PathwayPredictor+DifferentialFVA
37
Saccharomyces cerevisiae
iMM904
()
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
-0.000000
0.000000
0.000000
2.878657e-01
PathwayPredictor+DifferentialFVA
38
Saccharomyces cerevisiae
iMM904
(-reaction.13GS, -reaction.2OXOADPtim, -reacti...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.000000
0.254043
1.905325
4.603305e-08
PathwayPredictor+DifferentialFVA
39
Saccharomyces cerevisiae
iMM904
(reaction.13GS(value=0.036297), reaction.2OXOA...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.005438
0.226674
1.700055
3.198537e-02
PathwayPredictor+DifferentialFVA
40
Saccharomyces cerevisiae
iMM904
(reaction.13GS(value=0.072594), reaction.2OXOA...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.009562
0.199305
1.494785
6.397013e-02
PathwayPredictor+DifferentialFVA
41
Saccharomyces cerevisiae
iMM904
(reaction.13GS(value=0.108891), reaction.2OXOA...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.012374
0.171935
1.289514
9.595523e-02
PathwayPredictor+DifferentialFVA
42
Saccharomyces cerevisiae
iMM904
(reaction.13GS(value=0.145187), reaction.2OXOA...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.013872
0.144566
1.084244
1.279406e-01
PathwayPredictor+DifferentialFVA
43
Saccharomyces cerevisiae
iMM904
(reaction.13GS(value=0.181484), reaction.2OXOA...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.014057
0.117197
0.878974
1.599255e-01
PathwayPredictor+DifferentialFVA
44
Saccharomyces cerevisiae
iMM904
(reaction.13GS(value=0.21778), reaction.2OXOAD...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
0.012757
0.088634
0.664755
1.919105e-01
PathwayPredictor+DifferentialFVA
45
Saccharomyces cerevisiae
iMM904
()
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
-0.000000
-0.000000
-0.000000
2.878657e-01
PathwayPredictor+DifferentialFVA
46
Saccharomyces cerevisiae
iMM904
(-reaction.ACOTAim, -reaction.ACS, -reaction.A...
(+reaction.MNXR5340#metanetx:MNXR5340, +reacti...
NaN
NaN
-0.000000
-1.316513e-12
PathwayPredictor+DifferentialFVA
47
Saccharomyces cerevisiae
iMM904
(-reaction.13GS, -reaction.2OXOADPtim, -reacti...
(+reaction.MNXR4008#metanetx:MNXR4008, +reacti...
-0.000000
0.745631
5.592233
-7.750803e-11
PathwayPredictor+DifferentialFVA
48
Saccharomyces cerevisiae
iMM904
(reaction.13GS(value=0.036303), reaction.2OXOA...
(+reaction.MNXR4008#metanetx:MNXR4008, +reacti...
0.015942
0.664458
4.983433
3.199022e-02
PathwayPredictor+DifferentialFVA
49
Saccharomyces cerevisiae
iMM904
(reaction.13GS(value=0.072605), reaction.2OXOA...
(+reaction.MNXR4008#metanetx:MNXR4008, +reacti...
0.027989
0.583284
4.374633
6.398044e-02
PathwayPredictor+DifferentialFVA
50
Saccharomyces cerevisiae
iMM904
(reaction.13GS(value=0.108908), reaction.2OXOA...
(+reaction.MNXR4008#metanetx:MNXR4008, +reacti...
0.036141
0.502111
3.765833
9.597049e-02
PathwayPredictor+DifferentialFVA
51
Saccharomyces cerevisiae
iMM904
(reaction.13GS(value=0.14521), reaction.2OXOAD...
(+reaction.MNXR4008#metanetx:MNXR4008, +reacti...
0.040398
0.420938
3.157035
1.279606e-01
PathwayPredictor+DifferentialFVA
52
Saccharomyces cerevisiae
iMM904
(reaction.13GS(value=0.181513), reaction.2OXOA...
(+reaction.MNXR4008#metanetx:MNXR4008, +reacti...
0.040759
0.339765
2.548235
1.599507e-01
PathwayPredictor+DifferentialFVA
53
Saccharomyces cerevisiae
iMM904
(reaction.13GS(value=0.217815), reaction.2OXOA...
(+reaction.MNXR4008#metanetx:MNXR4008, +reacti...
0.037226
0.258591
1.939434
1.919409e-01
PathwayPredictor+DifferentialFVA
54
Saccharomyces cerevisiae
iMM904
()
(+reaction.MNXR4008#metanetx:MNXR4008, +reacti...
0.000043
0.000199
0.001489
2.879114e-01
PathwayPredictor+DifferentialFVA
55
Saccharomyces cerevisiae
iMM904
(-reaction.GLCt1, -reaction.GLNS, -reaction.GL...
(+reaction.MNXR4008#metanetx:MNXR4008, +reacti...
NaN
NaN
NaN
NaN
PathwayPredictor+DifferentialFVA
56
Saccharomyces cerevisiae
iMM904
()
(+reaction.MNXR4008#metanetx:MNXR4008, +reacti...
0.000043
0.000199
0.001489
2.879114e-01
PathwayPredictor+DifferentialFVA
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