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BNGL import erroneously scales initial conditions by 2e-5 #1335

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CodeByDrescher opened this issue Jul 30, 2024 · 2 comments
Open

BNGL import erroneously scales initial conditions by 2e-5 #1335

CodeByDrescher opened this issue Jul 30, 2024 · 2 comments
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java Pull requests that update Java code rule-based Type: Bug bug report user interface

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@CodeByDrescher
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When BNGL is imported and option "Molecules" is selected, all initial counts are multiplied by 2e-5. No scaling (everything is OK) when "Concentration" option is selected.

@CodeByDrescher CodeByDrescher added Type: Bug bug report java Pull requests that update Java code user interface labels Jul 30, 2024
@vcellmike vcellmike self-assigned this Jan 14, 2025
@vcellmike
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Save this file with .bngl extension and import with volume 1: once as Concentrations (no changes), once with Molecules - all initial counts will be scaled.

begin model
begin parameters
kp1 1.667e-06 # ligand-monomer binding, units: /molecule/s
km1 0.06 # ligand-monomer dissociation, units: /s
end parameters
begin molecule types
egf(r)
egfr(l,r,Y1068YpY)
end molecule types
begin seed species
egf(r) 1.2e6
egfr(l,r,Y1068~Y) 1.8e5
end seed species
begin reaction rules
egfr(l,r) + egf(r) <-> egfr(l!1,r).egf(r!1) kp1, km1 #ligand-monomer
end reaction rules
begin observables
Molecules Efgr_total egfr()
end observables
end model

@danv61
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danv61 commented Jan 17, 2025

Clarification from Michael: if "molecules" are selected during import, the number specified in the bngl input file is to be considered as the absolute number of molecules, regardless of volume.
For example, egfr(l,r,Y1068~Y) 1.8e5 means we have 1.8e5 molecules in our volume.

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Labels
java Pull requests that update Java code rule-based Type: Bug bug report user interface
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