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dev/advanced/2_custom_model/index.html
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dev/advanced/3_custom_models_on_hpc/index.html
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<html lang="en"><head><meta charset="UTF-8"/><meta name="viewport" content="width=device-width, initial-scale=1.0"/><title>Using customized models on HPC · COBREXA.jl</title><link href="https://fonts.googleapis.com/css?family=Lato|Roboto+Mono" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.15.0/css/fontawesome.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.15.0/css/solid.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.15.0/css/brands.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.11.1/katex.min.css" rel="stylesheet" type="text/css"/><script>documenterBaseURL="../.."</script><script src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.6/require.min.js" data-main="../../assets/documenter.js"></script><script src="../../siteinfo.js"></script><script src="../../../versions.js"></script><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../../assets/themes/documenter-dark.css" data-theme-name="documenter-dark" data-theme-primary-dark/><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../../assets/themes/documenter-light.css" data-theme-name="documenter-light" data-theme-primary/><script src="../../assets/themeswap.js"></script><link href="../../assets/favicon.ico" rel="icon" type="image/x-icon"/></head><body><div id="documenter"><nav class="docs-sidebar"><a class="docs-logo" href="../../"><img class="docs-light-only" src="../../assets/logo.svg" alt="COBREXA.jl logo"/><img class="docs-dark-only" src="../../assets/logo-dark.svg" alt="COBREXA.jl logo"/></a><div class="docs-package-name"><span class="docs-autofit">COBREXA.jl</span></div><form class="docs-search" action="../../search/"><input class="docs-search-query" id="documenter-search-query" name="q" type="text" placeholder="Search docs"/></form><ul class="docs-menu"><li><a class="tocitem" href="../../">Home</a></li><li><a class="tocitem" href="../../tutorials/">Tutorials</a></li><li><a class="tocitem" href="../../notebooks/">Examples and notebooks</a></li><li><a class="tocitem" href="../../functions/">Function reference</a></li><li><a class="tocitem" href="../../howToContribute/">How to contribute</a></li></ul><div class="docs-version-selector field has-addons"><div class="control"><span class="docs-label button is-static is-size-7">Version</span></div><div class="docs-selector control is-expanded"><div class="select is-fullwidth is-size-7"><select id="documenter-version-selector"></select></div></div></div></nav><div class="docs-main"><header class="docs-navbar"><nav class="breadcrumb"><ul class="is-hidden-mobile"><li class="is-active"><a href>Using customized models on HPC</a></li></ul><ul class="is-hidden-tablet"><li class="is-active"><a href>Using customized models on HPC</a></li></ul></nav><div class="docs-right"><a class="docs-edit-link" href="https://github.com/LCSB-BioCore/COBREXA.jl/blob/master/docs/src/advanced/3_custom_models_on_hpc.md" title="Edit on GitHub"><span class="docs-icon fab"></span><span class="docs-label is-hidden-touch">Edit on GitHub</span></a><a class="docs-settings-button fas fa-cog" id="documenter-settings-button" href="#" title="Settings"></a><a class="docs-sidebar-button fa fa-bars is-hidden-desktop" id="documenter-sidebar-button" href="#"></a></div></header><article class="content" id="documenter-page"><h1 id="Using-customized-models-on-HPC"><a class="docs-heading-anchor" href="#Using-customized-models-on-HPC">Using customized models on HPC</a><a id="Using-customized-models-on-HPC-1"></a><a class="docs-heading-anchor-permalink" href="#Using-customized-models-on-HPC" title="Permalink"></a></h1></article><nav class="docs-footer"><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> on <span class="colophon-date" title="Tuesday 11 May 2021 15:26">Tuesday 11 May 2021</span>. Using Julia version 1.6.0.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
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<html lang="en"><head><meta charset="UTF-8"/><meta name="viewport" content="width=device-width, initial-scale=1.0"/><title>Tracing and debugging · COBREXA.jl</title><link href="https://fonts.googleapis.com/css?family=Lato|Roboto+Mono" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.15.0/css/fontawesome.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.15.0/css/solid.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.15.0/css/brands.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.11.1/katex.min.css" rel="stylesheet" type="text/css"/><script>documenterBaseURL="../.."</script><script src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.6/require.min.js" data-main="../../assets/documenter.js"></script><script src="../../siteinfo.js"></script><script src="../../../versions.js"></script><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../../assets/themes/documenter-dark.css" data-theme-name="documenter-dark" data-theme-primary-dark/><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../../assets/themes/documenter-light.css" data-theme-name="documenter-light" data-theme-primary/><script src="../../assets/themeswap.js"></script><link href="../../assets/favicon.ico" rel="icon" type="image/x-icon"/></head><body><div id="documenter"><nav class="docs-sidebar"><a class="docs-logo" href="../../"><img class="docs-light-only" src="../../assets/logo.svg" alt="COBREXA.jl logo"/><img class="docs-dark-only" src="../../assets/logo-dark.svg" alt="COBREXA.jl logo"/></a><div class="docs-package-name"><span class="docs-autofit">COBREXA.jl</span></div><form class="docs-search" action="../../search/"><input class="docs-search-query" id="documenter-search-query" name="q" type="text" placeholder="Search docs"/></form><ul class="docs-menu"><li><a class="tocitem" href="../../">Home</a></li><li><a class="tocitem" href="../../tutorials/">Tutorials</a></li><li><a class="tocitem" href="../../notebooks/">Examples and notebooks</a></li><li><a class="tocitem" href="../../functions/">Function reference</a></li><li><a class="tocitem" href="../../howToContribute/">How to contribute</a></li></ul><div class="docs-version-selector field has-addons"><div class="control"><span class="docs-label button is-static is-size-7">Version</span></div><div class="docs-selector control is-expanded"><div class="select is-fullwidth is-size-7"><select id="documenter-version-selector"></select></div></div></div></nav><div class="docs-main"><header class="docs-navbar"><nav class="breadcrumb"><ul class="is-hidden-mobile"><li class="is-active"><a href>Tracing and debugging</a></li></ul><ul class="is-hidden-tablet"><li class="is-active"><a href>Tracing and debugging</a></li></ul></nav><div class="docs-right"><a class="docs-edit-link" href="https://github.com/LCSB-BioCore/COBREXA.jl/blob/master/docs/src/advanced/5_debugging.md" title="Edit on GitHub"><span class="docs-icon fab"></span><span class="docs-label is-hidden-touch">Edit on GitHub</span></a><a class="docs-settings-button fas fa-cog" id="documenter-settings-button" href="#" title="Settings"></a><a class="docs-sidebar-button fa fa-bars is-hidden-desktop" id="documenter-sidebar-button" href="#"></a></div></header><article class="content" id="documenter-page"><h1 id="Tracing-and-debugging"><a class="docs-heading-anchor" href="#Tracing-and-debugging">Tracing and debugging</a><a id="Tracing-and-debugging-1"></a><a class="docs-heading-anchor-permalink" href="#Tracing-and-debugging" title="Permalink"></a></h1></article><nav class="docs-footer"><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> on <span class="colophon-date" title="Tuesday 11 May 2021 15:00">Tuesday 11 May 2021</span>. Using Julia version 1.6.0.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
<html lang="en"><head><meta charset="UTF-8"/><meta name="viewport" content="width=device-width, initial-scale=1.0"/><title>Tracing and debugging · COBREXA.jl</title><link href="https://fonts.googleapis.com/css?family=Lato|Roboto+Mono" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.15.0/css/fontawesome.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.15.0/css/solid.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.15.0/css/brands.min.css" rel="stylesheet" type="text/css"/><link href="https://cdnjs.cloudflare.com/ajax/libs/KaTeX/0.11.1/katex.min.css" rel="stylesheet" type="text/css"/><script>documenterBaseURL="../.."</script><script src="https://cdnjs.cloudflare.com/ajax/libs/require.js/2.3.6/require.min.js" data-main="../../assets/documenter.js"></script><script src="../../siteinfo.js"></script><script src="../../../versions.js"></script><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../../assets/themes/documenter-dark.css" data-theme-name="documenter-dark" data-theme-primary-dark/><link class="docs-theme-link" rel="stylesheet" type="text/css" href="../../assets/themes/documenter-light.css" data-theme-name="documenter-light" data-theme-primary/><script src="../../assets/themeswap.js"></script><link href="../../assets/favicon.ico" rel="icon" type="image/x-icon"/></head><body><div id="documenter"><nav class="docs-sidebar"><a class="docs-logo" href="../../"><img class="docs-light-only" src="../../assets/logo.svg" alt="COBREXA.jl logo"/><img class="docs-dark-only" src="../../assets/logo-dark.svg" alt="COBREXA.jl logo"/></a><div class="docs-package-name"><span class="docs-autofit">COBREXA.jl</span></div><form class="docs-search" action="../../search/"><input class="docs-search-query" id="documenter-search-query" name="q" type="text" placeholder="Search docs"/></form><ul class="docs-menu"><li><a class="tocitem" href="../../">Home</a></li><li><a class="tocitem" href="../../tutorials/">Tutorials</a></li><li><a class="tocitem" href="../../notebooks/">Examples and notebooks</a></li><li><a class="tocitem" href="../../functions/">Function reference</a></li><li><a class="tocitem" href="../../howToContribute/">How to contribute</a></li></ul><div class="docs-version-selector field has-addons"><div class="control"><span class="docs-label button is-static is-size-7">Version</span></div><div class="docs-selector control is-expanded"><div class="select is-fullwidth is-size-7"><select id="documenter-version-selector"></select></div></div></div></nav><div class="docs-main"><header class="docs-navbar"><nav class="breadcrumb"><ul class="is-hidden-mobile"><li class="is-active"><a href>Tracing and debugging</a></li></ul><ul class="is-hidden-tablet"><li class="is-active"><a href>Tracing and debugging</a></li></ul></nav><div class="docs-right"><a class="docs-edit-link" href="https://github.com/LCSB-BioCore/COBREXA.jl/blob/master/docs/src/advanced/5_debugging.md" title="Edit on GitHub"><span class="docs-icon fab"></span><span class="docs-label is-hidden-touch">Edit on GitHub</span></a><a class="docs-settings-button fas fa-cog" id="documenter-settings-button" href="#" title="Settings"></a><a class="docs-sidebar-button fa fa-bars is-hidden-desktop" id="documenter-sidebar-button" href="#"></a></div></header><article class="content" id="documenter-page"><h1 id="Tracing-and-debugging"><a class="docs-heading-anchor" href="#Tracing-and-debugging">Tracing and debugging</a><a id="Tracing-and-debugging-1"></a><a class="docs-heading-anchor-permalink" href="#Tracing-and-debugging" title="Permalink"></a></h1></article><nav class="docs-footer"><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> on <span class="colophon-date" title="Tuesday 11 May 2021 15:26">Tuesday 11 May 2021</span>. Using Julia version 1.6.0.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
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......@@ -10,4 +10,4 @@ $ git remote rename origin upstream # renames the origin as upstream
$ git remote add origin git@github.com:yourUsername/COBREXA.jl.git
$ git fetch origin</code></pre><p>where <code>yourUsername</code> is your Github username.</p><div class="admonition is-warning"><header class="admonition-header">Warning</header><div class="admonition-body"><p>Make sure that your fork is located at <code>github.com/yourUsername/COBREXA.jl</code>.</p></div></div><p>Then, checkout a branch <code>yourNewBranch</code>:</p><pre><code class="language-bash">$ cd ~/.julia/dev/COBREXA
$ git checkout -b yourNewBranch origin/develop</code></pre><p>Then, you can readily use the <code>COBREXA</code> package:</p><pre><code class="language-julia">julia&gt; using COBREXA</code></pre><p>After making changes, precompile the package:</p><pre><code class="language-julia">(v1.1) pkg&gt; precompile</code></pre><h2 id="Step-2:-Activate-COBREXA"><a class="docs-heading-anchor" href="#Step-2:-Activate-COBREXA">Step 2: Activate COBREXA</a><a id="Step-2:-Activate-COBREXA-1"></a><a class="docs-heading-anchor-permalink" href="#Step-2:-Activate-COBREXA" title="Permalink"></a></h2><div class="admonition is-warning"><header class="admonition-header">Warning</header><div class="admonition-body"><p>Please note that you cannot use the dependencies of COBREXA directly, unless they are installed separately or the environment has been activated:</p></div></div><pre><code class="language-julia">(v1.1) pkg&gt; activate .
(COBREXA) pkg&gt; instantiate</code></pre><p>Now, the environment is activated (you can see it with the prompt change <code>(COBREXA) pkg&gt;</code>). Now, you can use the dependency. For instance:</p><pre><code class="language-julia">julia&gt; using JuMP</code></pre><div class="admonition is-warning"><header class="admonition-header">Warning</header><div class="admonition-body"><p>If you do not <code>activate</code> the environment before using any of the dependencies, you will see a red error messages prompting you to install the dependency explicitly.</p></div></div><h2 id="Step-3:-Contribute!"><a class="docs-heading-anchor" href="#Step-3:-Contribute!">Step 3: Contribute!</a><a id="Step-3:-Contribute!-1"></a><a class="docs-heading-anchor-permalink" href="#Step-3:-Contribute!" title="Permalink"></a></h2><div class="admonition is-success"><header class="admonition-header">Tip</header><div class="admonition-body"><p>Adding <code>[skip ci]</code> in your commit message will skip CI from automatically testing that commit. </p></div></div></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="../functions/">« Function reference</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> on <span class="colophon-date" title="Tuesday 11 May 2021 15:00">Tuesday 11 May 2021</span>. Using Julia version 1.6.0.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
(COBREXA) pkg&gt; instantiate</code></pre><p>Now, the environment is activated (you can see it with the prompt change <code>(COBREXA) pkg&gt;</code>). Now, you can use the dependency. For instance:</p><pre><code class="language-julia">julia&gt; using JuMP</code></pre><div class="admonition is-warning"><header class="admonition-header">Warning</header><div class="admonition-body"><p>If you do not <code>activate</code> the environment before using any of the dependencies, you will see a red error messages prompting you to install the dependency explicitly.</p></div></div><h2 id="Step-3:-Contribute!"><a class="docs-heading-anchor" href="#Step-3:-Contribute!">Step 3: Contribute!</a><a id="Step-3:-Contribute!-1"></a><a class="docs-heading-anchor-permalink" href="#Step-3:-Contribute!" title="Permalink"></a></h2><div class="admonition is-success"><header class="admonition-header">Tip</header><div class="admonition-body"><p>Adding <code>[skip ci]</code> in your commit message will skip CI from automatically testing that commit. </p></div></div></article><nav class="docs-footer"><a class="docs-footer-prevpage" href="../functions/">« Function reference</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> on <span class="colophon-date" title="Tuesday 11 May 2021 15:26">Tuesday 11 May 2021</span>. Using Julia version 1.6.0.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
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<br><h1 id="Constraint-Based-Reconstruction-and-EXascale-Analysis"><a class="docs-heading-anchor" href="#Constraint-Based-Reconstruction-and-EXascale-Analysis">Constraint-Based Reconstruction and EXascale Analysis</a><a id="Constraint-Based-Reconstruction-and-EXascale-Analysis-1"></a><a class="docs-heading-anchor-permalink" href="#Constraint-Based-Reconstruction-and-EXascale-Analysis" title="Permalink"></a></h1><p>COBREXA is a toolkit for working with large constraint-based metabolic models, and a running very large number of analysis tasks on these models in parallel. Its main purpose is to make the methods of Constraint-based Reconstruction and Analysis (COBRA) scale to problem sizes that require the use of huge computer clusters and HPC environments, which allows them to be realistically applied to pre-exascale-sized models.</p><p>In this package, you will find the usual COBRA-like functions that interface to underlying linear programming solvers. We use <a href="https://github.com/jump-dev/JuMP.jl"><code>JuMP.jl</code></a> as the unified interface for many solvers; you can plug in whichever compatible solver you want, including the popular <a href="https://github.com/ds4dm/Tulip.jl"><code>Tulip.jl</code></a>, <a href="https://github.com/jump-dev/GLPK.jl"><code>GLPK.jl</code></a>, <a href="https://github.com/oxfordcontrol/OSQP.jl"><code>OSQP.jl</code></a>, and <a href="https://github.com/jump-dev/Gurobi.jl"><code>Gurobi.jl</code></a>.</p><div align="center">
<img style="width:300px;margin:10px;border-offset:15px;border: 1px solid #eee;border-radius: 50%;padding: 10px;-webkit-border-radius: 50%;-moz-border-radius: 50%;" src="assets/output.gif" alt="history"><br>
Development history of COBREXA.jl.
</div><h2 id="Quick-start-guide"><a class="docs-heading-anchor" href="#Quick-start-guide">Quick start guide</a><a id="Quick-start-guide-1"></a><a class="docs-heading-anchor-permalink" href="#Quick-start-guide" title="Permalink"></a></h2><p>&lt;!–insert_quickstart–&gt;</p><h2 id="Tutorials"><a class="docs-heading-anchor" href="#Tutorials">Tutorials</a><a id="Tutorials-1"></a><a class="docs-heading-anchor-permalink" href="#Tutorials" title="Permalink"></a></h2><p>Detailed tutorial content is <a href="../tutorials/">available here</a>.</p><ul><li><a href="../tutorials/1_loading/#Loading-and-converting-model-data">Loading and converting model data</a></li><li><a href="../tutorials/2_analysis/#Basic-analysis-of-constraint-based-models">Basic analysis of constraint-based models</a></li><li><a href="../tutorials/3_hpc/#Distributed-processing-and-HPC-environments">Distributed processing and HPC environments</a></li><li><a href="../tutorials/4_modifying/#Modifying-and-saving-the-models">Modifying and saving the models</a></li></ul><h2 id="Example-notebooks-and-workflows"><a class="docs-heading-anchor" href="#Example-notebooks-and-workflows">Example notebooks and workflows</a><a id="Example-notebooks-and-workflows-1"></a><a class="docs-heading-anchor-permalink" href="#Example-notebooks-and-workflows" title="Permalink"></a></h2><p>Detailed notebook content is <a href="../notebooks/">available here</a>.</p><ul><li><a href="../notebooks/1_loading_converting_saving/#Loading,-converting,-and-saving-models">Loading, converting, and saving models</a></li><li><a href="../notebooks/2_finding_balance/#Finding-balance-and-variability-of-constraint-based-models">Finding balance and variability of constraint-based models</a></li><li><a href="../notebooks/3_basic_stdmodel_usage/#Basic-usage-of-StandardModel">Basic usage of <code>StandardModel</code></a></li><li><a href="../notebooks/4_basic_core_coupled_usage/#Basic-usage-of-CoreModel-and-CoreModelCoupled">Basic usage of <code>CoreModel</code> and <code>CoreModelCoupled</code></a></li><li><a href="../notebooks/5_basic_stdmodel_construction/#Model-construction-and-modification">Model construction and modification</a></li></ul><h2 id="Functions-reference"><a class="docs-heading-anchor" href="#Functions-reference">Functions reference</a><a id="Functions-reference-1"></a><a class="docs-heading-anchor-permalink" href="#Functions-reference" title="Permalink"></a></h2><ul><li><a href="../functions/#Functions">Functions</a></li><ul><li><a href="../functions/#Base-Types">Base Types</a></li><li><a href="../functions/#Model-types-and-contents">Model types and contents</a></li><li><a href="../functions/#Base-functions">Base functions</a></li><li><a href="../functions/#File-I/O-and-serialization">File I/O and serialization</a></li><li><a href="../functions/#Model-reconstruction">Model reconstruction</a></li><li><a href="../functions/#Analysis-functions">Analysis functions</a></li><li><a href="../functions/#Miscellaneous-utilities">Miscellaneous utilities</a></li></ul></ul><h2 id="Contribution-guide"><a class="docs-heading-anchor" href="#Contribution-guide">Contribution guide</a><a id="Contribution-guide-1"></a><a class="docs-heading-anchor-permalink" href="#Contribution-guide" title="Permalink"></a></h2><p>If you wish to contribute code, patches or improvements to <code>COBREXA.jl</code>, please read the basic <a href="../howToContribute/">contribution guidelines and hints.</a>.</p></article><nav class="docs-footer"><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> on <span class="colophon-date" title="Tuesday 11 May 2021 15:00">Tuesday 11 May 2021</span>. Using Julia version 1.6.0.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
</div><h2 id="Quick-start-guide"><a class="docs-heading-anchor" href="#Quick-start-guide">Quick start guide</a><a id="Quick-start-guide-1"></a><a class="docs-heading-anchor-permalink" href="#Quick-start-guide" title="Permalink"></a></h2><p>&lt;!–insert_quickstart–&gt;</p><h2 id="Tutorials"><a class="docs-heading-anchor" href="#Tutorials">Tutorials</a><a id="Tutorials-1"></a><a class="docs-heading-anchor-permalink" href="#Tutorials" title="Permalink"></a></h2><p>Detailed tutorial content is <a href="../tutorials/">available here</a>.</p><ul><li><a href="../tutorials/1_loading/#Loading-and-converting-model-data">Loading and converting model data</a></li><li><a href="../tutorials/2_analysis/#Basic-analysis-of-constraint-based-models">Basic analysis of constraint-based models</a></li><li><a href="../tutorials/3_hpc/#Distributed-processing-and-HPC-environments">Distributed processing and HPC environments</a></li><li><a href="../tutorials/4_modifying/#Modifying-and-saving-the-models">Modifying and saving the models</a></li></ul><h2 id="Example-notebooks-and-workflows"><a class="docs-heading-anchor" href="#Example-notebooks-and-workflows">Example notebooks and workflows</a><a id="Example-notebooks-and-workflows-1"></a><a class="docs-heading-anchor-permalink" href="#Example-notebooks-and-workflows" title="Permalink"></a></h2><p>Detailed notebook content is <a href="../notebooks/">available here</a>.</p><ul><li><a href="../notebooks/1_loading_converting_saving/#Loading,-converting,-and-saving-models">Loading, converting, and saving models</a></li><li><a href="../notebooks/2_finding_balance/#Finding-balance-and-variability-of-constraint-based-models">Finding balance and variability of constraint-based models</a></li><li><a href="../notebooks/3_basic_stdmodel_usage/#Basic-usage-of-StandardModel">Basic usage of <code>StandardModel</code></a></li><li><a href="../notebooks/4_basic_core_coupled_usage/#Basic-usage-of-CoreModel-and-CoreModelCoupled">Basic usage of <code>CoreModel</code> and <code>CoreModelCoupled</code></a></li><li><a href="../notebooks/5_basic_stdmodel_construction/#Model-construction-and-modification">Model construction and modification</a></li></ul><h2 id="Functions-reference"><a class="docs-heading-anchor" href="#Functions-reference">Functions reference</a><a id="Functions-reference-1"></a><a class="docs-heading-anchor-permalink" href="#Functions-reference" title="Permalink"></a></h2><ul><li><a href="../functions/#Functions">Functions</a></li><ul><li><a href="../functions/#Base-Types">Base Types</a></li><li><a href="../functions/#Model-types-and-contents">Model types and contents</a></li><li><a href="../functions/#Base-functions">Base functions</a></li><li><a href="../functions/#File-I/O-and-serialization">File I/O and serialization</a></li><li><a href="../functions/#Model-reconstruction">Model reconstruction</a></li><li><a href="../functions/#Analysis-functions">Analysis functions</a></li><li><a href="../functions/#Miscellaneous-utilities">Miscellaneous utilities</a></li></ul></ul><h2 id="Contribution-guide"><a class="docs-heading-anchor" href="#Contribution-guide">Contribution guide</a><a id="Contribution-guide-1"></a><a class="docs-heading-anchor-permalink" href="#Contribution-guide" title="Permalink"></a></h2><p>If you wish to contribute code, patches or improvements to <code>COBREXA.jl</code>, please read the basic <a href="../howToContribute/">contribution guidelines and hints.</a>.</p></article><nav class="docs-footer"><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> on <span class="colophon-date" title="Tuesday 11 May 2021 15:26">Tuesday 11 May 2021</span>. Using Julia version 1.6.0.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
dev/index.html
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......@@ -28,4 +28,4 @@ fluxes = flux_balance_analysis_dict(model, GLPK.Optimizer)</code></pre><p>The va
&quot;R_O2t&quot; =&gt; 21.7995
&quot;R_G6PDH2r&quot; =&gt; 4.95998
&quot;R_TALA&quot; =&gt; 1.49698
⋮ =&gt; ⋮</code></pre><h2 id="Tutorials"><a class="docs-heading-anchor" href="#Tutorials">Tutorials</a><a id="Tutorials-1"></a><a class="docs-heading-anchor-permalink" href="#Tutorials" title="Permalink"></a></h2><p>Detailed tutorial content is <a href="tutorials/">available here</a>.</p><ul><li><a href="tutorials/1_loading/#Loading-and-converting-model-data">Loading and converting model data</a></li><li><a href="tutorials/2_analysis/#Basic-analysis-of-constraint-based-models">Basic analysis of constraint-based models</a></li><li><a href="tutorials/3_hpc/#Distributed-processing-and-HPC-environments">Distributed processing and HPC environments</a></li><li><a href="tutorials/4_modifying/#Modifying-and-saving-the-models">Modifying and saving the models</a></li></ul><h2 id="Example-notebooks-and-workflows"><a class="docs-heading-anchor" href="#Example-notebooks-and-workflows">Example notebooks and workflows</a><a id="Example-notebooks-and-workflows-1"></a><a class="docs-heading-anchor-permalink" href="#Example-notebooks-and-workflows" title="Permalink"></a></h2><p>Detailed notebook content is <a href="notebooks/">available here</a>.</p><ul><li><a href="notebooks/1_loading_converting_saving/#Loading,-converting,-and-saving-models">Loading, converting, and saving models</a></li><li><a href="notebooks/2_finding_balance/#Finding-balance-and-variability-of-constraint-based-models">Finding balance and variability of constraint-based models</a></li><li><a href="notebooks/3_basic_stdmodel_usage/#Basic-usage-of-StandardModel">Basic usage of <code>StandardModel</code></a></li><li><a href="notebooks/4_basic_core_coupled_usage/#Basic-usage-of-CoreModel-and-CoreModelCoupled">Basic usage of <code>CoreModel</code> and <code>CoreModelCoupled</code></a></li><li><a href="notebooks/5_basic_stdmodel_construction/#Model-construction-and-modification">Model construction and modification</a></li></ul><h2 id="Functions-reference"><a class="docs-heading-anchor" href="#Functions-reference">Functions reference</a><a id="Functions-reference-1"></a><a class="docs-heading-anchor-permalink" href="#Functions-reference" title="Permalink"></a></h2><ul><li><a href="functions/#Functions">Functions</a></li><ul><li><a href="functions/#Base-Types">Base Types</a></li><li><a href="functions/#Model-types-and-contents">Model types and contents</a></li><li><a href="functions/#Base-functions">Base functions</a></li><li><a href="functions/#File-I/O-and-serialization">File I/O and serialization</a></li><li><a href="functions/#Model-reconstruction">Model reconstruction</a></li><li><a href="functions/#Analysis-functions">Analysis functions</a></li><li><a href="functions/#Miscellaneous-utilities">Miscellaneous utilities</a></li></ul></ul><h2 id="Contribution-guide"><a class="docs-heading-anchor" href="#Contribution-guide">Contribution guide</a><a id="Contribution-guide-1"></a><a class="docs-heading-anchor-permalink" href="#Contribution-guide" title="Permalink"></a></h2><p>If you wish to contribute code, patches or improvements to <code>COBREXA.jl</code>, please read the basic <a href="howToContribute/">contribution guidelines and hints.</a>.</p></article><nav class="docs-footer"><a class="docs-footer-nextpage" href="tutorials/">Tutorials »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> on <span class="colophon-date" title="Tuesday 11 May 2021 15:00">Tuesday 11 May 2021</span>. Using Julia version 1.6.0.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
⋮ =&gt; ⋮</code></pre><h2 id="Tutorials"><a class="docs-heading-anchor" href="#Tutorials">Tutorials</a><a id="Tutorials-1"></a><a class="docs-heading-anchor-permalink" href="#Tutorials" title="Permalink"></a></h2><p>Detailed tutorial content is <a href="tutorials/">available here</a>.</p><ul><li><a href="tutorials/1_loading/#Loading-and-converting-model-data">Loading and converting model data</a></li><li><a href="tutorials/2_analysis/#Basic-analysis-of-constraint-based-models">Basic analysis of constraint-based models</a></li><li><a href="tutorials/3_hpc/#Distributed-processing-and-HPC-environments">Distributed processing and HPC environments</a></li><li><a href="tutorials/4_modifying/#Modifying-and-saving-the-models">Modifying and saving the models</a></li></ul><h2 id="Example-notebooks-and-workflows"><a class="docs-heading-anchor" href="#Example-notebooks-and-workflows">Example notebooks and workflows</a><a id="Example-notebooks-and-workflows-1"></a><a class="docs-heading-anchor-permalink" href="#Example-notebooks-and-workflows" title="Permalink"></a></h2><p>Detailed notebook content is <a href="notebooks/">available here</a>.</p><ul><li><a href="notebooks/1_loading_converting_saving/#Loading,-converting,-and-saving-models">Loading, converting, and saving models</a></li><li><a href="notebooks/2_finding_balance/#Finding-balance-and-variability-of-constraint-based-models">Finding balance and variability of constraint-based models</a></li><li><a href="notebooks/3_basic_stdmodel_usage/#Basic-usage-of-StandardModel">Basic usage of <code>StandardModel</code></a></li><li><a href="notebooks/4_basic_core_coupled_usage/#Basic-usage-of-CoreModel-and-CoreModelCoupled">Basic usage of <code>CoreModel</code> and <code>CoreModelCoupled</code></a></li><li><a href="notebooks/5_basic_stdmodel_construction/#Model-construction-and-modification">Model construction and modification</a></li></ul><h2 id="Functions-reference"><a class="docs-heading-anchor" href="#Functions-reference">Functions reference</a><a id="Functions-reference-1"></a><a class="docs-heading-anchor-permalink" href="#Functions-reference" title="Permalink"></a></h2><ul><li><a href="functions/#Functions">Functions</a></li><ul><li><a href="functions/#Base-Types">Base Types</a></li><li><a href="functions/#Model-types-and-contents">Model types and contents</a></li><li><a href="functions/#Base-functions">Base functions</a></li><li><a href="functions/#File-I/O-and-serialization">File I/O and serialization</a></li><li><a href="functions/#Model-reconstruction">Model reconstruction</a></li><li><a href="functions/#Analysis-functions">Analysis functions</a></li><li><a href="functions/#Miscellaneous-utilities">Miscellaneous utilities</a></li></ul></ul><h2 id="Contribution-guide"><a class="docs-heading-anchor" href="#Contribution-guide">Contribution guide</a><a id="Contribution-guide-1"></a><a class="docs-heading-anchor-permalink" href="#Contribution-guide" title="Permalink"></a></h2><p>If you wish to contribute code, patches or improvements to <code>COBREXA.jl</code>, please read the basic <a href="howToContribute/">contribution guidelines and hints.</a>.</p></article><nav class="docs-footer"><a class="docs-footer-nextpage" href="tutorials/">Tutorials »</a><div class="flexbox-break"></div><p class="footer-message">Powered by <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> and the <a href="https://julialang.org/">Julia Programming Language</a>.</p></nav></div><div class="modal" id="documenter-settings"><div class="modal-background"></div><div class="modal-card"><header class="modal-card-head"><p class="modal-card-title">Settings</p><button class="delete"></button></header><section class="modal-card-body"><p><label class="label">Theme</label><div class="select"><select id="documenter-themepicker"><option value="documenter-light">documenter-light</option><option value="documenter-dark">documenter-dark</option></select></div></p><hr/><p>This document was generated with <a href="https://github.com/JuliaDocs/Documenter.jl">Documenter.jl</a> on <span class="colophon-date" title="Tuesday 11 May 2021 15:26">Tuesday 11 May 2021</span>. Using Julia version 1.6.0.</p></section><footer class="modal-card-foot"></footer></div></div></div></body></html>
dev/notebooks/1_loading_converting_saving.ipynb
View file @ 1640a8c8
%% Cell type:markdown id: tags:
# Loading, converting, and saving models
%% Cell type:markdown id: tags:
`COBREXA` can load models stored in `.mat`, `.json`, and `.xml` formats (with
the latter denoting SBML formatted models).
%% Cell type:markdown id: tags:
We will primarily use the *E. Coli* "core" model to demonstrate the utilities
found in `COBREXA`. First, let's download the model in several formats.
%% Cell type:code id: tags:
``` julia
# Downloads the model files if they don't already exist
!isfile("e_coli_core.mat") &&
download("http://bigg.ucsd.edu/static/models/e_coli_core.mat", "e_coli_core.mat");
!isfile("e_coli_core.json") &&
download("http://bigg.ucsd.edu/static/models/e_coli_core.json", "e_coli_core.json");
!isfile("e_coli_core.xml") &&
download("http://bigg.ucsd.edu/static/models/e_coli_core.xml", "e_coli_core.xml");
```
%% Cell type:markdown id: tags:
Now, load the package:
%% Cell type:code id: tags:
``` julia
using COBREXA
```
%% Cell type:markdown id: tags:
## Loading models
%% Cell type:markdown id: tags:
Load the models using the `load_model` function. Each model is able to
"pretty-print" itself, hiding the inner complexity.
%% Cell type:code id: tags:
``` julia
mat_model = load_model("e_coli_core.mat")
```
%%%% Output: execute_result
Metabolic model of type MATModel
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⢄⠀⠀⠀⠀⠀⠀⠀⠈⠶⠴⡆⠀⠀⠀⠀⠀⠀
⡀⢐⣀⢀⡀⡒⢒⣐⠀⣂⣂⠀⣂⣂⢂⠀⢀⠀⠀⠀⠀⠀⢀⠄⠀⠀⠀⢂⠀⢂⣀⣐⡒⡀⠆⢙⣀⠀⡀⠀
⠀⠀⠀⠀⠀⠀⠁⠀⠀⠀⠀⠀⠀⠰⠀⠀⠀⠀⠀⠀⠀⠀⠀⠠⠀⠀⠀⠀⠀⡀⠀⠀⠀⠀⠈⢑⣀⣀⠀⠀
⠀⠀⠃⠀⠃⠀⠀⠀⠘⠀⡇⠀⠀⠀⠀⠀⢸⠀⠀⠀⠀⠀⠀⠀⠁⠀⠀⠀⠀⠀⡜⠀⡄⣤⢠⠘⠙⢣⡇⠘
⠀⠐⠀⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠄⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠐⠀⠀⠀⠀⠀⠐⠁⠉⠀⠀⠀⠀⠀⠘⠄
⠀⢐⠀⠂⠀⠄⠠⠠⠀⠠⠆⠀⠄⠀⠄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠁⠀⠀⠠⠀⠠⠀⠀⢀⠀⠀⠠⠀⠀⠁
⢀⠐⠀⠨⢀⠁⠈⣈⠀⢁⣁⠀⠀⠀⠀⠈⠀⠀⠀⠀⠀⠀⠀⠀⠀⠄⠀⠁⢀⠀⢊⠉⠀⠀⠀⢀⠀⣀⠀⢀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⡈⠀⡀⠆⠀⠆⠀⡀⠀⠀⠀⠀⠀⠀⠀⠈⠀⠀⠆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠆⠀
⠀⠀⠂⠀⡂⠀⠀⠁⠀⠀⠀⠈⠁⠀⠀⠀⠄⠄⢁⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠀⠀⠀⠀⠀⠀
⠈⠀⠁⠀⠀⢀⡀⠀⠠⠁⠁⠀⠑⠀⠐⠲⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠂⠀⠂⠀⠀⠀⠀⠀⠀⠊⠀⠀⠀⠈
⠄⠠⢠⠀⠰⠀⠠⠀⠤⠦⠄⠈⠀⠀⠀⠠⠀⠁⠀⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠤⠄⠄⠠⠀⠀⠀⠀⠀
⠂⠐⠀⠀⠐⡠⢐⠘⢃⠒⠂⡀⠄⠀⠀⠐⠀⠀⠀⢀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠒⠀⢀⢀⠀⠀⣀⠀⢀
⠈⠀⠁⠀⡀⠀⠀⠀⠈⠁⠅⠀⠁⠀⢀⠈⠄⠔⠀⠀⠀⠀⠀⠀⠀⠀⠐⠀⠀⠀⠀⠀⠀⠀⠀⠈⠀⠀⠀⠈
⠣⠁⠀⠀⠀⠀⠀⠀⠀⠀⠁⠀⠀⠀⠈⠀⠁⠁⠀⠈⡀⠀⠀⠀⠀⠀⠐⢣⠈⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⡀⠀⠀⠀⠀⠀⠀⠀⠀⡄⠀⠀⠀⠀⠂⠄⠤⠀⠀⠈⠂⠀⠀⠀⠀⠠⠀⠊⠒⣠⠀⠀⠀⠀⠀⠀⠀⠀⠀
Number of reactions: 95
Number of metabolites: 72
%% Cell type:code id: tags:
``` julia
json_model = load_model("e_coli_core.json")
```
%%%% Output: execute_result
Metabolic model of type JSONModel
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⢄⠀⠀⠀⠀⠀⠀⠀⠈⠶⠴⡆⠀⠀⠀⠀⠀⠀
⡀⢐⣀⢀⡀⡒⢒⣐⠀⣂⣂⠀⣂⣂⢂⠀⢀⠀⠀⠀⠀⠀⢀⠄⠀⠀⠀⢂⠀⢂⣀⣐⡒⡀⠆⢙⣀⠀⡀⠀
⠀⠀⠀⠀⠀⠀⠁⠀⠀⠀⠀⠀⠀⠰⠀⠀⠀⠀⠀⠀⠀⠀⠀⠠⠀⠀⠀⠀⠀⡀⠀⠀⠀⠀⠈⢑⣀⣀⠀⠀
⠀⠀⠃⠀⠃⠀⠀⠀⠘⠀⡇⠀⠀⠀⠀⠀⢸⠀⠀⠀⠀⠀⠀⠀⠁⠀⠀⠀⠀⠀⡜⠀⡄⣤⢠⠘⠙⢣⡇⠘
⠀⠐⠀⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠄⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠐⠀⠀⠀⠀⠀⠐⠁⠉⠀⠀⠀⠀⠀⠘⠄
⠀⢐⠀⠂⠀⠄⠠⠠⠀⠠⠆⠀⠄⠀⠄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠁⠀⠀⠠⠀⠠⠀⠀⢀⠀⠀⠠⠀⠀⠁
⢀⠐⠀⠨⢀⠁⠈⣈⠀⢁⣁⠀⠀⠀⠀⠈⠀⠀⠀⠀⠀⠀⠀⠀⠀⠄⠀⠁⢀⠀⢊⠉⠀⠀⠀⢀⠀⣀⠀⢀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⡈⠀⡀⠆⠀⠆⠀⡀⠀⠀⠀⠀⠀⠀⠀⠈⠀⠀⠆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠆⠀
⠀⠀⠂⠀⡂⠀⠀⠁⠀⠀⠀⠈⠁⠀⠀⠀⠄⠄⢁⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠀⠀⠀⠀⠀⠀
⠈⠀⠁⠀⠀⢀⡀⠀⠠⠁⠁⠀⠑⠀⠐⠲⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠂⠀⠂⠀⠀⠀⠀⠀⠀⠊⠀⠀⠀⠈
⠄⠠⢠⠀⠰⠀⠠⠀⠤⠦⠄⠈⠀⠀⠀⠠⠀⠁⠀⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠤⠄⠄⠠⠀⠀⠀⠀⠀
⠂⠐⠀⠀⠐⡠⢐⠘⢃⠒⠂⡀⠄⠀⠀⠐⠀⠀⠀⢀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠒⠀⢀⢀⠀⠀⣀⠀⢀
⠈⠀⠁⠀⡀⠀⠀⠀⠈⠁⠅⠀⠁⠀⢀⠈⠄⠔⠀⠀⠀⠀⠀⠀⠀⠀⠐⠀⠀⠀⠀⠀⠀⠀⠀⠈⠀⠀⠀⠈
⠣⠁⠀⠀⠀⠀⠀⠀⠀⠀⠁⠀⠀⠀⠈⠀⠁⠁⠀⠈⡀⠀⠀⠀⠀⠀⠐⢣⠈⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⡀⠀⠀⠀⠀⠀⠀⠀⠀⡄⠀⠀⠀⠀⠂⠄⠤⠀⠀⠈⠂⠀⠀⠀⠀⠠⠀⠊⠒⣠⠀⠀⠀⠀⠀⠀⠀⠀⠀
Number of reactions: 95
Number of metabolites: 72
%% Cell type:code id: tags:
``` julia
sbml_model = load_model("e_coli_core.xml")
```
%%%% Output: execute_result
Metabolic model of type SBMLModel
⠀⠈⢀⠀⡀⠀⠀⠀⠀⡠⠂⠀⠀⠀⠀⠈⠀⠄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠠⠀⠀⠀⠀⢀⠐⡀⠀⠀⠀⠀⠄
⠀⠐⠀⠀⠀⠀⠀⠀⡠⠂⠀⠀⠀⠀⢰⠱⣀⠀⡄⢐⠀⠀⢀⠀⠀⠀⡂⠄⠔⠁⠰⠀⠠⠀⣆⠀⠄⢠⢀⠄
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠁⠠⠀⠀⠐⠀⠀⠀⠀⠀⠀⢀⠀⠀⠐⠀⠂⠀⠀⠀⠄⠀⠐⠀⢁⠄⠀⠀⠀⠀⠀
⠀⢀⠀⠐⡈⠀⡀⠀⠂⠀⣀⠀⠑⡈⢀⠀⠀⠀⠀⠀⡀⡠⠀⡀⠰⠁⠈⠂⠁⠀⠠⠀⠀⠂⡂⠀⠂⠂⠀⠀
⠠⠀⠐⠀⠂⠀⠀⢀⠀⠀⠀⠀⠊⠀⡐⠊⠐⠀⠀⠀⠀⠀⠐⠀⠂⠀⠀⠐⠀⠀⠀⠀⠀⠁⠃⠠⠀⠁⠐⠀
⠀⠠⠀⡀⠄⠀⠀⠂⠀⠀⠀⠠⠀⠠⠀⠀⠄⠀⠨⠀⠀⠀⠐⠀⠀⠄⢀⠀⠀⠀⠈⠀⠀⠀⠁⠄⠀⠀⠀⠀
⠀⢐⠐⠀⠄⠀⡂⠀⢐⠀⠀⠀⠀⠂⢀⢀⠐⠂⡀⠈⠀⠀⠀⠂⠀⠈⠀⡀⡐⠀⢄⠀⢀⠀⡆⠀⡀⣀⡀⡐
⠀⠈⠀⠀⠀⠀⠀⠐⢂⠀⢀⠀⠈⠀⠀⠀⠀⠀⠠⠀⠀⠠⠀⠀⠀⠈⠂⠀⠀⠀⠄⠐⠐⠀⠁⠀⠀⠑⠁⠀
⠂⠠⠀⠀⠀⠀⠀⠀⠀⢀⠀⠀⠠⠈⠀⠀⠀⠀⠀⠁⠀⠀⠠⠐⠀⠁⠈⠀⠁⢀⠀⠀⠀⠀⠀⠀⠀⠀⠌⠀
⠀⠀⠂⢨⠀⡀⠀⠐⠁⠐⠀⠐⠊⠀⠀⠀⠀⠀⠀⠀⠀⠀⠢⠒⠈⠐⠐⠁⠂⠀⠀⠀⠄⠓⠕⠂⠃⠁⠀⠐
⠠⠀⠨⠀⠁⠤⠄⠀⠁⡄⠀⠂⠠⠄⢈⠌⠠⠄⠀⢀⠀⠀⠀⠄⠨⠀⡤⠀⢀⠀⢀⠠⠀⠁⡔⠨⠀⠈⠄⠀
⠀⢀⢀⣀⠀⡠⡒⢀⢀⣀⠀⢀⣀⡀⢀⠀⢀⠀⡀⠀⡀⠀⠈⣀⠀⢀⣀⠀⡀⠀⢀⠁⢀⣀⣀⡀⡠⡀⡀⣀
⠀⠄⠀⠀⠀⠀⠀⠀⠀⠂⠁⠀⠀⠀⠀⠀⠀⣠⠀⠀⡀⠀⠀⠀⠀⠀⠀⠀⠈⠀⠀⠀⠀⠀⠀⠐⠀⠀⠀⠀
⢀⠂⠀⠀⠂⠀⠈⠀⠐⠀⠀⠀⠁⠀⠀⠀⡀⠔⠑⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠢⠀⠀⡀⠂⠈⠀⠀⠀⠄
⠀⠐⠀⠀⡂⠀⠂⠀⠀⠀⠒⠐⠄⠂⠐⠀⠘⡀⠀⠠⡂⠃⠀⠂⠄⠂⠀⠀⠀⠀⡀⠀⡀⠀⡂⠂⠀⠀⢀⠀
Number of reactions: 95
Number of metabolites: 72
%% Cell type:markdown id: tags:
You can directly inspect the model objects, although only with a specific way
for each specific type.
%% Cell type:markdown id: tags:
JSON models contain their corresponding JSON:
%% Cell type:code id: tags:
``` julia
json_model.json
```
%%%% Output: execute_result
Dict{String, Any} with 6 entries:
"metabolites" => Any[Dict{String, Any}("compartment"=>"e", "name"=>"D-Glucos…
"id" => "e_coli_core"
"compartments" => Dict{String, Any}("c"=>"cytosol", "e"=>"extracellular space…
"reactions" => Any[Dict{String, Any}("name"=>"Phosphofructokinase", "metab…
"version" => "1"
"genes" => Any[Dict{String, Any}("name"=>"adhE", "id"=>"b1241", "notes…
%% Cell type:markdown id: tags:
SBML models contain a complicated structure from [`SBML.jl`
package](https://github.com/LCSB-BioCore/SBML.jl):
%% Cell type:code id: tags:
``` julia
typeof(sbml_model.sbml)
```
%%%% Output: execute_result
SBML.Model
%% Cell type:markdown id: tags:
MAT models contain MATLAB data:
%% Cell type:code id: tags:
``` julia
mat_model.mat
```
%%%% Output: execute_result
Dict{String, Any} with 17 entries:
"description" => "e_coli_core"
"c" => [0.0; 0.0; … ; 0.0; 0.0]
"rev" => [0; 0; … ; 1; 0]
"mets" => Any["glc__D_e"; "gln__L_c"; … ; "g3p_c"; "g6p_c"]
"grRules" => Any["b3916 or b1723"; "((b0902 and b0903) and b2579) or (b09…
"subSystems" => Any["Glycolysis/Gluconeogenesis"; "Pyruvate Metabolism"; … ;…
"b" => [0.0; 0.0; … ; 0.0; 0.0]
"metFormulas" => Any["C6H12O6"; "C5H10N2O3"; … ; "C3H5O6P"; "C6H11O9P"]
"rxnGeneMat" => …
"S" => [0.0 0.0 … 0.0 0.0; 0.0 0.0 … 0.0 0.0; … ; 0.0 0.0 … 0.0 0.0…
"metNames" => Any["D-Glucose"; "L-Glutamine"; … ; "Glyceraldehyde 3-phosph…
"lb" => [0.0; 0.0; … ; -1000.0; 0.0]
"metCharge" => [0.0; 0.0; … ; -2.0; -2.0]
"ub" => [1000.0; 1000.0; … ; 1000.0; 1000.0]
"rxnNames" => Any["Phosphofructokinase"; "Pyruvate formate lyase"; … ; "O2…
"rxns" => Any["PFK"; "PFL"; … ; "O2t"; "PDH"]
"genes" => Any["b1241"; "b0351"; … ; "b2935"; "b3919"]
%% Cell type:markdown id: tags:
## Using the generic interface to access model details
%% Cell type:markdown id: tags:
To prevent the complexities of object representation, `COBREXA.jl` uses a set
of generic interface functions that extract various important information
from all supported model types. This approach ensures that the analysis
functions can work on any data.
%% Cell type:markdown id: tags:
For example, you can check the reactions and metabolites contained in SBML
and JSON models using the same accessor:
%% Cell type:code id: tags:
``` julia
reactions(json_model)
```
%%%% Output: execute_result
95-element Vector{String}:
"PFK"
"PFL"
"PGI"
"PGK"
"PGL"
"ACALD"
"AKGt2r"
"PGM"
"PIt2r"
"ALCD2x"
⋮
"MALt2_2"
"MDH"
"ME1"
"ME2"
"NADH16"
"NADTRHD"
"NH4t"
"O2t"
"PDH"
%% Cell type:code id: tags:
``` julia
reactions(sbml_model)
```
%%%% Output: execute_result
95-element Vector{String}:
"R_EX_fum_e"
"R_ACONTb"
"R_TPI"
"R_SUCOAS"
"R_GLNS"
"R_EX_pi_e"
"R_PPC"
"R_O2t"
"R_G6PDH2r"
"R_TALA"
⋮
"R_THD2"
"R_EX_h2o_e"
"R_GLUSy"
"R_ME1"
"R_GLUN"
"R_EX_o2_e"
"R_FRUpts2"
"R_ALCD2x"
"R_PIt2r"
%% Cell type:code id: tags:
``` julia
issetequal(reactions(json_model), reactions(mat_model)) # do models contain the same reactions?
```
%%%% Output: execute_result
true
%% Cell type:markdown id: tags:
All accessors are defined in a single file in COBREXA source code; you may
therefore get a list of all accessors as follows:
%% Cell type:code id: tags:
``` julia
using InteractiveUtils
for method in filter(
x -> endswith(string(x.file), "MetabolicModel.jl"),
InteractiveUtils.methodswith(MetabolicModel, COBREXA),
)
println(method.name)
end
```
%%%% Output: stream
balance
bounds
coupling
coupling_bounds
gene_annotations
gene_notes
genes
metabolite_annotations
metabolite_charge
metabolite_compartment
metabolite_formula
metabolite_notes
metabolites
n_coupling_constraints
n_genes
n_metabolites
n_reactions
objective
reaction_annotations
reaction_gene_association
reaction_notes
reaction_subsystem
reactions
stoichiometry
%% Cell type:markdown id: tags:
## Converting between model types
%% Cell type:markdown id: tags:
It is possible to convert model types to-and-fro. To do this, use the
`convert` function, which is overloaded from Julia's `Base`.
%% Cell type:code id: tags:
``` julia
m = convert(MATModel, json_model)
```
%%%% Output: execute_result
Metabolic model of type MATModel
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⢄⠀⠀⠀⠀⠀⠀⠀⠈⠶⠴⡆⠀⠀⠀⠀⠀⠀
⡀⢐⣀⢀⡀⡒⢒⣐⠀⣂⣂⠀⣂⣂⢂⠀⢀⠀⠀⠀⠀⠀⢀⠄⠀⠀⠀⢂⠀⢂⣀⣐⡒⡀⠆⢙⣀⠀⡀⠀
⠀⠀⠀⠀⠀⠀⠁⠀⠀⠀⠀⠀⠀⠰⠀⠀⠀⠀⠀⠀⠀⠀⠀⠠⠀⠀⠀⠀⠀⡀⠀⠀⠀⠀⠈⢑⣀⣀⠀⠀
⠀⠀⠃⠀⠃⠀⠀⠀⠘⠀⡇⠀⠀⠀⠀⠀⢸⠀⠀⠀⠀⠀⠀⠀⠁⠀⠀⠀⠀⠀⡜⠀⡄⣤⢠⠘⠙⢣⡇⠘
⠀⠐⠀⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠄⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠐⠀⠀⠀⠀⠀⠐⠁⠉⠀⠀⠀⠀⠀⠘⠄
⠀⢐⠀⠂⠀⠄⠠⠠⠀⠠⠆⠀⠄⠀⠄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠁⠀⠀⠠⠀⠠⠀⠀⢀⠀⠀⠠⠀⠀⠁
⢀⠐⠀⠨⢀⠁⠈⣈⠀⢁⣁⠀⠀⠀⠀⠈⠀⠀⠀⠀⠀⠀⠀⠀⠀⠄⠀⠁⢀⠀⢊⠉⠀⠀⠀⢀⠀⣀⠀⢀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⡈⠀⡀⠆⠀⠆⠀⡀⠀⠀⠀⠀⠀⠀⠀⠈⠀⠀⠆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠆⠀
⠀⠀⠂⠀⡂⠀⠀⠁⠀⠀⠀⠈⠁⠀⠀⠀⠄⠄⢁⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠀⠀⠀⠀⠀⠀
⠈⠀⠁⠀⠀⢀⡀⠀⠠⠁⠁⠀⠑⠀⠐⠲⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠂⠀⠂⠀⠀⠀⠀⠀⠀⠊⠀⠀⠀⠈
⠄⠠⢠⠀⠰⠀⠠⠀⠤⠦⠄⠈⠀⠀⠀⠠⠀⠁⠀⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠤⠄⠄⠠⠀⠀⠀⠀⠀
⠂⠐⠀⠀⠐⡠⢐⠘⢃⠒⠂⡀⠄⠀⠀⠐⠀⠀⠀⢀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠒⠀⢀⢀⠀⠀⣀⠀⢀
⠈⠀⠁⠀⡀⠀⠀⠀⠈⠁⠅⠀⠁⠀⢀⠈⠄⠔⠀⠀⠀⠀⠀⠀⠀⠀⠐⠀⠀⠀⠀⠀⠀⠀⠀⠈⠀⠀⠀⠈
⠣⠁⠀⠀⠀⠀⠀⠀⠀⠀⠁⠀⠀⠀⠈⠀⠁⠁⠀⠈⡀⠀⠀⠀⠀⠀⠐⢣⠈⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⡀⠀⠀⠀⠀⠀⠀⠀⠀⡄⠀⠀⠀⠀⠂⠄⠤⠀⠀⠈⠂⠀⠀⠀⠀⠠⠀⠊⠒⣠⠀⠀⠀⠀⠀⠀⠀⠀⠀
Number of reactions: 95
Number of metabolites: 72
%% Cell type:markdown id: tags:
`m` will now contain the MATLAB-style matrix representation of the model:
%% Cell type:code id: tags:
``` julia
Matrix(m.mat["S"])
```
%%%% Output: execute_result
72×95 Matrix{Float64}:
0.0 0.0 0.0 0.0 0.0 0.0 0.0 … 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 0.0 0.0 0.0 0.0 0.0 0.0 … 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 0.0 0.0 0.0 -1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1.0 0.0 0.0 0.0 1.0 1.0 1.0 0.0 0.0 -4.0 0.0 0.0 0.0 0.0
0.0 0.0 0.0 0.0 0.0 0.0 -1.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0
⋮ ⋮ ⋱ ⋮
-1.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 1.0 0.0 0.0 0.0 0.0 0.0 … 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 0.0 0.0 0.0 0.0 0.0 0.0 … 0.0 0.0 0.0 0.0 0.0 0.0 0.0
0.0 0.0 -1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0
%% Cell type:markdown id: tags:
The loading and conversion can be combined using a shortcut:
%% Cell type:code id: tags:
``` julia
m = load_model(MATModel, "e_coli_core.json")
```
%%%% Output: execute_result
Metabolic model of type MATModel
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⢄⠀⠀⠀⠀⠀⠀⠀⠈⠶⠴⡆⠀⠀⠀⠀⠀⠀
⡀⢐⣀⢀⡀⡒⢒⣐⠀⣂⣂⠀⣂⣂⢂⠀⢀⠀⠀⠀⠀⠀⢀⠄⠀⠀⠀⢂⠀⢂⣀⣐⡒⡀⠆⢙⣀⠀⡀⠀
⠀⠀⠀⠀⠀⠀⠁⠀⠀⠀⠀⠀⠀⠰⠀⠀⠀⠀⠀⠀⠀⠀⠀⠠⠀⠀⠀⠀⠀⡀⠀⠀⠀⠀⠈⢑⣀⣀⠀⠀
⠀⠀⠃⠀⠃⠀⠀⠀⠘⠀⡇⠀⠀⠀⠀⠀⢸⠀⠀⠀⠀⠀⠀⠀⠁⠀⠀⠀⠀⠀⡜⠀⡄⣤⢠⠘⠙⢣⡇⠘
⠀⠐⠀⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠄⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠐⠀⠀⠀⠀⠀⠐⠁⠉⠀⠀⠀⠀⠀⠘⠄
⠀⢐⠀⠂⠀⠄⠠⠠⠀⠠⠆⠀⠄⠀⠄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠁⠀⠀⠠⠀⠠⠀⠀⢀⠀⠀⠠⠀⠀⠁
⢀⠐⠀⠨⢀⠁⠈⣈⠀⢁⣁⠀⠀⠀⠀⠈⠀⠀⠀⠀⠀⠀⠀⠀⠀⠄⠀⠁⢀⠀⢊⠉⠀⠀⠀⢀⠀⣀⠀⢀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⡈⠀⡀⠆⠀⠆⠀⡀⠀⠀⠀⠀⠀⠀⠀⠈⠀⠀⠆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠆⠀
⠀⠀⠂⠀⡂⠀⠀⠁⠀⠀⠀⠈⠁⠀⠀⠀⠄⠄⢁⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠀⠀⠀⠀⠀⠀
⠈⠀⠁⠀⠀⢀⡀⠀⠠⠁⠁⠀⠑⠀⠐⠲⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠂⠀⠂⠀⠀⠀⠀⠀⠀⠊⠀⠀⠀⠈
⠄⠠⢠⠀⠰⠀⠠⠀⠤⠦⠄⠈⠀⠀⠀⠠⠀⠁⠀⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠤⠄⠄⠠⠀⠀⠀⠀⠀
⠂⠐⠀⠀⠐⡠⢐⠘⢃⠒⠂⡀⠄⠀⠀⠐⠀⠀⠀⢀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠒⠀⢀⢀⠀⠀⣀⠀⢀
⠈⠀⠁⠀⡀⠀⠀⠀⠈⠁⠅⠀⠁⠀⢀⠈⠄⠔⠀⠀⠀⠀⠀⠀⠀⠀⠐⠀⠀⠀⠀⠀⠀⠀⠀⠈⠀⠀⠀⠈
⠣⠁⠀⠀⠀⠀⠀⠀⠀⠀⠁⠀⠀⠀⠈⠀⠁⠁⠀⠈⡀⠀⠀⠀⠀⠀⠐⢣⠈⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⡀⠀⠀⠀⠀⠀⠀⠀⠀⡄⠀⠀⠀⠀⠂⠄⠤⠀⠀⠈⠂⠀⠀⠀⠀⠠⠀⠊⠒⣠⠀⠀⠀⠀⠀⠀⠀⠀⠀
Number of reactions: 95
Number of metabolites: 72
%% Cell type:markdown id: tags:
## Saving and exporting models
%% Cell type:markdown id: tags:
`COBREXA.jl` supports exporting the models in JSON and MAT format, using `save_model`.
%% Cell type:code id: tags:
``` julia
save_model(m, "converted_model.json")
save_model(m, "converted_model.mat")
```