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A lightweight interface to eQuilibrator and equilibrator_api through Julia.

License: MIT License

Julia 100.00%

equilibrator julia constraint-based-modeling thermodynamics

equilibrator.jl's Introduction

A lightweight interface to eQuilibrator and equilibrator_api through Julia.

Installation

To install this package: ] add eQuilibrator. See the documentation for more information.

** Note, this package has been tested against equilibrator-api v0.5 only. Please make sure you use that version.**

Quick Example

using eQuilibrator
using Unitful, Measurements

equilibrator = eQuilibrator.Equilibrator(ionic_strength=150.0u"mM")

rxn_string = bigg"atp + h2o = adp + pi"

ΔrG = dg_prime(equilibrator, rxn_string) # -26.88 ± 0.3 kJ mol^-1

no_units_ΔrG = ustrip(u"kJ/mol", ΔrG) # -26.88 ± 0.3

no_units_nominal_ΔrG = no_units_ΔrG.val # -26.877081724713634

Contributions

Please feel free to file an issue or submit a PR!

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