Wednesday, December 13, 2023

Update to teUtils

 I just updated teUtils to version 2.9

UPDATE: The documentation was broken, now fixed. This is a set of utilities that can be used with our simulation environment Tellurium

The update includes some updates to the build synthetic networks functionality. 

The new version adds 'ei*(' terms to mass actions rate laws, eg
S1 -> S2; e1*(k1*S1 - k2*S2)

This makes it easier to compute control coefficients with repect to 'e' I also added a new mass-action rate of the form:

v = k1*A(1 - (B/A)/Keq1)

These can be generated using the call:

model = teUtils.buildNetworks.getLinearChain(10, rateLawType="ModifiedMassAction")

Useful if you want to more easily control the equilbrium constant for a reaction. Here is an example of a three step random linear chain:

model = teUtils.buildNetworks.getLinearChain(10, rateLawType="ModifiedMassAction")
print (model)

J1: $Xo -> S1; k1*Xo*(1 - (S1/Xo)/Keq1); 
J2: S1 -> S2; k2*S1*(1 - (S2/S1)/Keq2); 
J3: S2 -> $X1; k3*S2*(1 - (X1/S2)/Keq3); 

k1 = 1.42;  Keq1 = 3.61
e1 = 1; k2 = 1.42;  Keq2 = 7.91
e2 = 1; k3 = 3.50;  Keq3 = 5.64
e3 = 1; Xo = 5.00
X1 = 0
S1 = 1E-6; S2 = 1E-6; 

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