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add-rxn.prop: Hydrogen Sulfide Addition #300

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May 6, 2022
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25d88c6
Merge pull request #285 from SysBioChalmers/develop
edkerk Dec 17, 2021
2c54a26
add-rxn.prop: Hydrogen Sulfide Addition
wtscott31 Mar 9, 2022
1e6415e
refactor: model I/O fully via RAVEN
edkerk Mar 9, 2022
a75bd79
chore: deprecate old function
edkerk Mar 9, 2022
982ef7b
refactor: metabolic IDs without comps suffix
edkerk Mar 9, 2022
152ad8e
refactor: use RAVEN functions
edkerk Mar 9, 2022
383fa0d
refactor: make universal changeGAM function
edkerk Mar 9, 2022
83f40a1
refactor: addSBOterms directly to miriam fields
edkerk Mar 9, 2022
e0aecdc
chore: model I/O without metComp suffixes
edkerk Mar 10, 2022
90bca65
feat: loadYeastModel supports conversion to COBRA format
edkerk Mar 10, 2022
b779b11
feat: increaseVersion and metadata in model file
edkerk Mar 11, 2022
7ec8c43
feat: new curateMetsRxnsGenes function
edkerk Mar 13, 2022
f9953ad
feat: add real exchange reactions
edkerk Mar 13, 2022
6dbe5f5
feat: rename transport rxns, add subsystems
edkerk Mar 13, 2022
f9a5e8a
Merge remote-tracking branch 'origin/develop' into tmp
edkerk Mar 13, 2022
beeda05
chore: model I/O via refactor/model-I-O branch
edkerk Mar 13, 2022
36f1cec
chore: remove files that belong in main branch
edkerk Mar 13, 2022
dc77a27
refactor: curate sulfur metabolism script
edkerk Mar 13, 2022
031c9ce
chore: generate new models
edkerk Mar 13, 2022
32f582c
fix: corrupt SBML file
edkerk Mar 13, 2022
fbe205b
doc: update README.md
edkerk Mar 14, 2022
fdcc4e2
feat: check whether RAVEN is present for model I/O
edkerk Mar 14, 2022
85fec7c
chorse: remove files that should only be on main
edkerk Mar 14, 2022
2c9e9e8
refactor: increaseVersion and saveYeastModel
edkerk Mar 14, 2022
bbcc58f
Merge remote-tracking branch 'origin/refactor/model-I-O' into 296-fea…
edkerk Mar 26, 2022
ef8eaf6
feat: curate annot, rename 1 met, remove 1 gene
edkerk Mar 26, 2022
2eac1f8
fix: curate 3-mercaptopyruvate sulfurtransferase
edkerk May 6, 2022
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69 changes: 37 additions & 32 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -2,20 +2,20 @@

[![DOI](https://zenodo.org/badge/52777598.svg)](https://zenodo.org/badge/latestdoi/52777598) [![GitHub version](https://badge.fury.io/gh/sysbiochalmers%2Fyeast-gem.svg)](https://badge.fury.io/gh/sysbiochalmers%2Fyeast-gem) [![Join the chat at https://gitter.im/SysBioChalmers/yeast-GEM](https://badges.gitter.im/SysBioChalmers/yeast-GEM.svg)](https://gitter.im/SysBioChalmers/yeast-GEM?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge&utm_content=badge)[![Memote history](https://github.com/SysBioChalmers/yeast-GEM/workflows/Memote%20history/badge.svg)](https://sysbiochalmers.github.io/yeast-GEM/history_report.html)

## Description
# Description

This repository contains the current consensus genome-scale metabolic model of _Saccharomyces cerevisiae_. It is the continuation of the legacy project [yeastnet](https://sourceforge.net/projects/yeast/). For the latest release please [click here](https://github.com/SysBioChalmers/yeast-GEM/releases).

## Citation
# Citation

* If you use yeast-GEM please cite the yeast8 paper:
> Lu, H. et al. _A consensus S. cerevisiae metabolic model Yeast8 and its ecosystem for comprehensively probing cellular metabolism._ Nature Communications 10, 3586 (2019). https://doi.org/10.1038/s41467-019-11581-3.
> Lu, H. et al. _A consensus S. cerevisiae metabolic model Yeast8 and its ecosystem for comprehensively probing cellular metabolism._ Nature Communications 10, 3586 (2019). [doi:10.1038/s41467-019-11581-3](https://doi.org/10.1038/s41467-019-11581-3)
* Additionally, all yeast-GEM releases are archived in [Zenodo](https://zenodo.org/badge/latestdoi/52777598), for you to cite the specific version of yeast-GEM that you used in your study, to ensure reproducibility. You should always cite the original publication + the specific version, for instance:
> _The yeast consensus genome-scale model [Lu et al. 2019], version 8.3.4 [Sánchez et al. 2019], was used._

Find the citation details for your specific version [here](https://zenodo.org/search?page=1&size=20&q=conceptrecid:%221494182%22&sort=-publication_date&all_versions=True).

## Keywords:
# Keywords

**Utilisation:** experimental data reconstruction; multi-omics integrative analysis; _in silico_ strain design; model template
**Field:** metabolic-network reconstruction
Expand All @@ -31,55 +31,61 @@ This repository contains the current consensus genome-scale metabolic model of _

## Model overview

|Taxonomy | Template model | Reactions | Metabolites| Genes |
|:-------:|:--------------:|:---------:|:----------:|:-----:|
|_Saccharomyces cerevisiae_|[Yeast 7.6](https://sourceforge.net/projects/yeast/)|4058|2742|1150|
| Taxonomy | Latest update | Version | Reactions | Metabolites | Genes |
|:-------|:--------------|:------|:------|:----------|:-----|
| _Saccharomyces cerevisiae_ | 14-March-2022 | develop | 4058 | 2742 | 1150 |

**Last update:** 2021-12-17
# Installation & usage

## Installation
## Obtain model

### Required software - User:
You can obtained the model by any of the following methods:
1. If you have a Git client installed on your computer, you can clone the [`main`](https://github.com/SysBioChalmers/yeast-GEM) branch of the yeast-GEM repository.
2. You can directly download [the latest release](https://github.com/SysBioChalmers/yeast-GEM/releases) as a ZIP file.
3. If you want to contribute to the development of yeast-GEM (see [below](#below)), it is best to [fork](https://github.com/SysBioChalmers/yeast-GEM/fork) the yeast-GEM repository to your own Github account.

* Matlab user:
* A functional Matlab installation (MATLAB 7.3 or higher).
* The [COBRA toolbox for MATLAB](https://github.com/opencobra/cobratoolbox).
* Python user: Python 3.4, 3.5, 3.6 or 3.7
## Required software

### Required software - Contributor:
### Basic user

* Both of the previous Matlab requirements.
* The [RAVEN toolbox for MATLAB](https://github.com/SysBioChalmers/RAVEN).
* A [git wrapper](https://github.com/manur/MATLAB-git) added to the search path.
If you want to use the model for your own model simulations, you can use **any software** that accepts SBML L3V1 FBCv3 formatted model files. This includes any of the following:
* MATLAB-based
* [RAVEN Toolbox](https://github.com/SysBioChalmers/RAVEN) version 2.6.1 or later (recommended)
* [COBRA Toolbox](https://github.com/opencobra/cobratoolbox)

**NOTE:** You also require [git lfs](https://git-lfs.github.com/) if you wish to run locally any of the following two [memote](https://github.com/opencobra/memote) commands:
* `memote run`
* `memote report history`
* Python-based
* [cobrapy](https://github.com/opencobra/cobrapy)

This is because `results.db` (the database that stores all memote results) is tracked with git lfs.
Please see the installation instructions for each software package. You may need to install [libSBML](https://sourceforge.net/projects/sbml/files/libsbml/5.19.0/stable/MATLAB%20interface/) and an LP-solver (e.g. [Gurobi](https://www.gurobi.com/downloads/gurobi-optimizer-eula/)).

### Dependencies - Recommended Software:
### Developer

* For Matlab, the [libSBML MATLAB API](https://sourceforge.net/projects/sbml/files/libsbml/MATLAB%20Interface/) (version 5.17.0 is recommended).
* [Gurobi Optimizer](http://www.gurobi.com/registration/download-reg) for any simulations.
* MATLAB-based
If you want to contribute to the development of yeast-GEM, or otherwise want to run any of the [provided](https://github.com/SysBioChalmers/yeast-GEM/tree/main/code) MATLAB functions, then the following software is required:
* [RAVEN Toolbox](https://github.com/SysBioChalmers/RAVEN) version 2.6.1 or later
* [git wrapper](https://github.com/manur/MATLAB-git)

### Installation instructions
* For users: Clone it from [`main`](https://github.com/SysBioChalmers/yeast-GEM) in the Github repo, or just download [the latest release](https://github.com/SysBioChalmers/yeast-GEM/releases). If you work in python, please create an environment with all requirements:
* Python-based
Contribution via python (cobrapy) is not yet functional. In essence, if you can retain the same format of the model files, you can still contribute to the development of yeast-GEM. However, you cannot use the MATLAB functions.

If you want to use any of the [provided](https://github.com/SysBioChalmers/yeast-GEM/tree/main/code) Python functions, you may create an environment with all requirements:
```bash
pip install -r requirements/requirements.txt # installs all dependencies
touch .env # creates a .env file for locating the root
```
* For contributors: Fork it to your Github account, and create a new branch from [`develop`](https://github.com/SysBioChalmers/yeast-GEM/tree/develop).

## Usage
If you want to locally run `memote run` or `memote report history`, you should also install [git lfs](https://git-lfs.github.com/), as `results.db` (the database that stores all memote results) is tracked with git lfs.

## Model usage

Make sure to load/save the model with the corresponding wrapper functions!
Make sure to load/save the model with the corresponding wrapper functions
* In Matlab:
```matlab
cd ./code
model = loadYeastModel(); % loading
saveYeastModel(model); % saving
```
* If RAVEN is not installed, you can also use COBRA-native functions (`readCbModel`, `writeCbModel`), but these model-files cannot be committed back to the GitHub repository.
* In Python:
```python
import code.io as io
Expand All @@ -92,11 +98,10 @@ Make sure to load/save the model with the corresponding wrapper functions!
* You can visualize selected pathways of yeast-GEM and perform online constraint-based simulations using [Caffeine](https://caffeine.dd-decaf.eu/interactive-map), by creating a simulation with the latest yeast-GEM version available, and choosing any _S. cerevisiae_ map (currently only `iMM904` maps are available). Learn more [about Caffeine](https://caffeine.dd-decaf.eu).
* Additionally, you can interactively navigate model components and visualize 3D representations of all compartments and subsystems of yeast-GEM at [Metabolic Atlas](https://metabolicatlas.org/explore?selected=Yeast-GEM). Learn more [about Metabolic Atlas](https://www.metabolicatlas.org/about).

## Contributing
# Contributing

Contributions are always welcome! Please read the [contributions guideline](https://github.com/SysBioChalmers/yeast-GEM/blob/main/.github/CONTRIBUTING.md) to get started.

## Contributors

Code contributors are reported automatically by GitHub under [Contributors](https://github.com/SysBioChalmers/yeast-GEM/graphs/contributors), while other contributions come in as [Issues](https://github.com/SysBioChalmers/yeast-GEM/issues).
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