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update docs
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stelmo committed May 30, 2021
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1 change: 1 addition & 0 deletions README.md
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Expand Up @@ -28,6 +28,7 @@ To install this package: `] add https://github.com/stelmo/eQuilibrator.jl`. See
using eQuilibrator

system = eQuilibrator.System(ionic_strength=150.0u"mM")

rxn_string = "bigg.metabolite:atp + bigg.metabolite:h2o = bigg.metabolite:adp + bigg.metabolite:pi"

dg_prime(system, rxn_string) # -26.88 ± 0.3 kJ mol^-1
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12 changes: 11 additions & 1 deletion docs/src/examples.md
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Expand Up @@ -3,7 +3,7 @@
The following examples follow closely the [example usage](https://equilibrator.readthedocs.io/en/latest/equilibrator_examples.html#Code-examples)
documented in `equilibrator_api`. Try running these examples!

# Basic ΔG' calculations
## Basic ΔG' calculations
Load `eQuilibrator.jl` and `Unitful`. Then initialize the thermodynamic `system` as shown below.
```
using eQuilibrator
Expand Down Expand Up @@ -57,3 +57,13 @@ ln_reversibility_index(system, rxn_string)
[eQuilibrator](https://equilibrator.weizmann.ac.il/static/classic_rxns/faq.html#how-do-you-calculate-the-uncertainty-for-each-estimation)
supplies estimates with uncertainties, these are reflected by the use of `a ± b` with `b` being the uncertainty, assumed to be
one standard deviation here.

## Reaction parsing
It is possible to mix and match metabolite identifiers, exactly like in
`equilibrator_api`, with the associated warnings. In short, the reaction string
is directly passed to `equilibrator_api`, so whatever strings works for it, will
also work here.
```
atpase_rxn_string_2 = "kegg:C00002 + CHEBI:15377 = metanetx.chemical:MNXM7 + bigg.metabolite:pi"
dg_prime(system, atpase_rxn_string_2)
```
2 changes: 1 addition & 1 deletion docs/src/functions.md
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@@ -1,4 +1,4 @@
## Function reference
# Function reference

```@autodocs
Modules=[eQuilibrator]
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6 changes: 6 additions & 0 deletions docs/src/index.md
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Expand Up @@ -6,3 +6,9 @@ provides a programmatic way to make use of the functionality of
[eQuilibrator](https://equilibrator.weizmann.ac.il/). This is particularly
useful when one needs access to thermodynamic information about reactions or
compounds.

## Index
```@contents
Pages = ["installation.md", "examples.md", "functions.md"]
Depth = 1
```
133 changes: 0 additions & 133 deletions src/tools.jl

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