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doc: move installations instructions to wiki (#357)
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* move installation instructions to wiki

* GECKOInstaller checks for latest GECKO version

* fix: prevent duplications in protein pseudometabolites

* minor fixes

* doc: update documentation

* doc: swap gitter for GitHub Discussions

* fix: correct link to upgrade instructions
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edkerk authored Dec 1, 2023
1 parent f4a40b5 commit 8d90e87
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35 changes: 35 additions & 0 deletions GECKOInstaller.m
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end
addpath(paths);
savepath;
GECKOInstaller.checkGECKOversion;
end
function uninstall
sourceDir = fileparts(which(mfilename));
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pathsLeft = splitPaths(1,okPaths);
newPaths = char(join(pathsLeft, pathSep));
end

function checkRAVENversion(minmVer)
try
currVer = checkInstallation('versionOnly');
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end

end

function checkGECKOversion
sourceDir = fileparts(which(mfilename));
hasGit=isfolder(fullfile(sourceDir,'.git'));

if exist(fullfile(sourceDir,'version.txt'), 'file') == 2
currVer = fgetl(fopen(fullfile(sourceDir,'version.txt')));
fclose('all');
fprintf('GECKO version %s installed',currVer)
try
newVer=strtrim(webread('https://raw.githubusercontent.com/SysBioChalmers/GECKO/main/version.txt'));
newVerNum=str2double(strsplit(newVer,'.'));
currVerNum=str2double(strsplit(currVer,'.'));
for i=1:3
if currVerNum(i)<newVerNum(i)
fprintf(', newer version %s is available',newVer)
if ~hasGit
fprintf('\nRun git pull in your favourite git client to update GECKO\n');
else
fprintf('\nInstructions on how to upgrade <a href="https://github.com/SysBioChalmers/GECKO/wiki/Installation-and-upgrade#installation">here</a>\n');
end
break
elseif i==3
fprintf('\n');
end
end
catch
fprintf('\n');
end
else
fprintf('GECKO installed, unknown version (cannot find version.txt)\n')
end
end
end

properties (Constant)
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62 changes: 8 additions & 54 deletions README.md
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@@ -1,72 +1,26 @@
<img src="./GECKO.png" width="200px">

![Current version](https://badge.fury.io/gh/sysbiochalmers%2Fgecko.svg)
[![Gitter](https://badges.gitter.im/SysBioChalmers/GECKO.svg)](https://gitter.im/SysBioChalmers/GECKO)
[![GitHub Discussions](https://img.shields.io/github/discussions-search?query=repo%3Asysbiochalmers%2Fgecko&label=GitHub%20Discussions)](https://github.com/SysBioChalmers/GECKO/discussions)
[![Zenodo](https://zenodo.org/badge/DOI/10.5281/zenodo.7699818.svg)](https://doi.org/10.5281/zenodo.7699818)

## About GECKO 3

The **GECKO** toolbox enhances a **G**enome-scale model to account for **E**nzyme **C**onstraints, using **K**inetics and **O**mics. The resulting enzyme-constrained model (**ecModel**) can be used to perform simulations where enzyme allocation is either drawn from a total protein pool, or constrained by measured protein levels from proteomics data.

💡 In the GECKO folder, `protocol.m` contains instructions on how to reconstruct and analyze an ecModel for _S. cerevisiae_. This demonstrates how many of GECKO's functions can be used.

💡 In the [`GECKO/tutorials`](https://github.com/SysBioChalmers/GECKO/tree/main/tutorials) folder there are examples of how GECKO can be applied to GEMs, in either of its _full_ or _light_ forms. Each `protocol.m` contains instructions on how to reconstruct and analyze an ecModel, demonstrating how different fuctions in GECKO can be used. The source code documentation is also available
[online](http://sysbiochalmers.github.io/GECKO/doc/).
💡 In the [`GECKO/tutorials`](https://github.com/SysBioChalmers/GECKO/tree/main/tutorials) folder there are examples of how GECKO can be applied to GEMs, in either of its _full_ or _light_ forms. Each `protocol.m` contains instructions on how to reconstruct and analyze an ecModel, demonstrating how different fuctions in GECKO can be used. These two scripts complement the [protocols paper](#citation).

_**Note:** Regarding code and model compatibility with earlier GECKO versions, see [Previous versions: GECKO 1 and 2](#previous-versions-gecko-1-and-2)_.
_**Note:** Regarding code and model compatibility with earlier GECKO versions, see [Previous versions: GECKO 1 and 2](https://github.com/SysBioChalmers/GECKO/wiki/Previous-versions:-GECKO-1-and-2)_.

### Citation

- A GECKO 3 publication is currently under consideration, citation information will appear here in due course.
- For GECKO release 2, please cite [Domenzain et al. (2022) doi:10.1038/s41467-022-31421-1](https://doi.org/10.1038/s41467-022-31421-1).
- For GECKO release 1, please cite [Sánchez et al. (2017) doi:10.15252/msb.20167411](https://doi.org/10.15252/msb.20167411).
## Documentation
**Installation instructions** and other information is available in the **[Wiki](https://github.com/SysBioChalmers/GECKO/wiki)**. The source code documentation is also available
[online](http://sysbiochalmers.github.io/GECKO/doc/). Use [GitHub Discussions](https://github.com/SysBioChalmers/GECKO/discussions) for support, to ask questions or leave comments.

### Getting started
## Citation

#### Required software

- MATLAB version 2019b or later, no additional MathWorks toolboxes are required.
- [RAVEN Toolbox](https://github.com/SysBioChalmers/RAVEN). The RAVEN Toolbox Wiki contains [installation instructions for both RAVEN](https://github.com/SysBioChalmers/RAVEN/wiki/Installation) and [Gurobi](https://github.com/SysBioChalmers/RAVEN/wiki/Installation#solvers). Briefly, RAVEN is either downloaded via `git clone`, as ZIP-archive from GitHub, or installed as a [MATLAB AddOn](https://se.mathworks.com/matlabcentral/fileexchange/112330-raven-toolbox). After finishing all installation instructions, the user should run installation checks in MATLAB with: `checkInstallation`.
- [Gurobi Optimizer](https://www.gurobi.com/solutions/gurobi-optimizer/) is recommended for simulations (free academic license available). Alternatively, the open-source [GNU Linear Programming Kit](https://www.gnu.org/software/glpk/) (distributed with RAVEN) or SoPlex as part of the [SCIP Optimization Suite](https://scipopt.org/) can be used.
- [Docker](https://www.docker.com/) for running DLKcat. Installation instructions are available at https://docs.docker.com/get-docker .

#### Installation

- The preferred way to download GECKO is via git clone:

```
git clone --depth=1 https://github.com/SysBioChalmers/GECKO
```

- Alternatively, [a ZIP-archive can be directly downloaded from GitHub](https://github.com/SysBioChalmers/GECKO/releases). The ZIP-archive should be extracted to a disk location where the user has read- and write-access rights.

- After `git clone` or extracting the ZIP-archive, the user should navigate in MATLAB to the GECKO folder. GECKO can then be installed with the command that adds GECKO (sub-)folders to the MATLAB path::

```
cd('C:\path\to\GECKO') % Modify to match GECKO folder and operating system
GECKOInstaller.install
```

- If desired, a removal command is available as::

```
GECKOInstaller.uninstall
```

All set! 🚀

## Previous versions: GECKO 1 and 2

Due to significant refactoring of the code, GECKO version 3 is largely not backwards compatible with earlier GECKO versions.

- Most notably, GECKO 3 ecModels have an `.ec` structure containing all enzyme and kcat information.
- In addition, in GECKO 3 enzymes are incorporated in the S-matrix as MW/kcat, while in GECKO 1 and 2 this was 1/kcat (where the MW was instead considered in the protein exchange reactions).
- GECKO 3 ecModels can be stored in YAML file format that retains all model content.
- Most functions in GECKO 3 do not work on ecModels generated with GECKO versions 1 or 2.
- ecModels generated in GECKO 3 do not work with functions from GECKO versions 1 or 2.
- At this moment, there are no Python functions to work with GECKO 3 formatted ecModels.
- The last GECKO 2 release (2.0.3) is available [here](https://github.com/SysBioChalmers/GECKO/releases/tag/v2.0.3).
- The `gecko2` branch remains available for any potential fixes.
- The GECKO 3 publication is in press at Nature Protocols. Once published, citation information will appear here.

## Contributing

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