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chore: version 8.6.0
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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -33,7 +33,7 @@ This repository contains the current consensus genome-scale metabolic model of _

| Taxonomy | Latest update | Version | Reactions | Metabolites | Genes |
|:-------|:--------------|:------|:------|:----------|:-----|
| _Saccharomyces cerevisiae_ | 14-May-2022 | develop | 4069 | 2749 | 1151 |
| _Saccharomyces cerevisiae_ | 18-May-2022 | 8.6.0 | 4069 | 2749 | 1151 |

# Installation & usage

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# History

### yeast 8.6.0:
- Fixes:
- Closes #265: Make `r_0446` (formate-tetrahydrofolate ligase) irreversible, to prevent non-zero flux through TCA cycle. (PR #290)
- Features:
- Add pathways responsible for the formation of hydrogen sulfide as well as other volatile sulfur compounds during fermentation (PR #300)
- Closes #302: Simplify model curation with `curateRxnsGenesMets` function (PR #300)
- Remove COBRA Toolbox and MATLAB-git dependencies for the MATLAB-based curation pipeline (PR #303)
- Closes #308: Distribute `yeast-GEM.mat` in RAVEN's format, to include `grRules` and `metComps` fields (PR #301)
- Refactor:
- Change format of `yeast-GEM.txt` file to include metabolite names and compartments, instead of metabolite identifiers, to simplify `diff`-ing (metabolite identifiers are already trackable in the `yml`-file) (PR #312)

### yeast 8.5.0:
- Features:
- Set up memote as GitHub Action for pull requests (PR #162)
- Moved old subSystems to reaction annotations (in `rxnMiriams` or `rxnKEGGpathways`) (PR #253)
- Fixes:
- Combine glycolysis + gluconeogenesis as single KEGG pathway annotations (PR #251).
- Closes #252: Correct grRule of r_4590 (PR #255).
- Closes #254: Corrects name of s_1218 (PR #255).
- `saveYeastModel.m` now correctly handles Unicode characters (PR #255).
- Closes #238: Correct indentation of `yeastGEM.yml` (PR #236 and #255).
- Chore:
- Update dependencies in `*requirements.txt` (PR #256).
- Minor changes in model file formatting due to updates in COBRA+RAVEN toolboxes (PR #253).
- Refactor:
- Closes #232: Follow `standard-GEM` specifications (PR #257).
- Closes #258: Rename git branches `master` and `devel` to `main` and `develop` (PR #261).

### yeast 8.4.2:
* Features:
* `saveYeastModel.m` now checks if the model can grow and, based on the `allowNoGrowth` flag, returns either warnings or errors if not (PR #244).
* Added several fatty acid ester producing reactions to the model, for improved simulation of alcoholic fermentation conditions (PRs #190 and #248).
* Fixes:
* Closes #242: Fixed a bug that prevented the model from growing (PR #243).
* Corrected directionality of 23 reactions and removed a generic reaction (PR #228).

### yeast 8.4.1:
* Features:
* Switched to `pip-tools` for managing python dependencies, distinguishing between user requirements `/requirements/requirements.txt` and developer requirements `/requirements/dev-requirements.txt` (PR #235).
* Fixes:
* Closes #201: Changed generic protein name to avoid confusion (PR #237).
* Closes #205: Finished correcting reactions' stoichiometry based on KEGG data (PR #237).
* Closes #215: Corrected wrong gene rule in reaction (PR #237).
* Closes #225: Moved MNX rxn ids from notes to the proper annotation field (PR #226).
* Documentation:
* Closes #223: Clarified releasing steps, including authorship criteria for Zenodo releases, in contributing guidelines (PR #233).
* Closes #227: Removed authorships/dates from all scripts, as it is redundant information (PR #230).
* Added admin guidelines for managing python dependencies (PR #235).
* Included links for model visualization in README file (PR #240).

### yeast 8.4.0:
* Features:
* New functions `mapKEGGID.m ` and `mapMNXMID.m` for adding ids in model. Used them to add missing KEGG and MetaNetX ids for both metabolites and reactions (PR #220).
* Solves #197: Added missing MetaNetX ids using KEGG ids and ChEBI ids (PR #220).
* Added BiGG ids for all matched metabolites/reactions using MetaNetX + manual curation, together with lists containing new BiGG ids for the unmatched ones (PR #188).
* New functions `read_yeast_model` and `write_yeast_model` for easier usage in python (PR #224).
* Solves #172: Model can now be loaded with BiGG ids as main ids, for better compliance with cobrapy (PR #224).
* Fixes:
* Solves #102: Every component of the model is now preserved when the model is opened with cobrapy, including gene names (PR #216).
* Manual curation of MetaNetX, KEGG and ChEBI ids for metabolites/reactions (PRs #188 and #220).
* Solves #187: Removed some duplicate reactions in the model (PR #188).
* Mass/charge balanced most unbalanced reactions in model using `checkSmatrixMNX.m`, bringing the number down to 17 reactions (PR #222).
* Others:
* Configured repo to ensure that files always use `LF` as EOL character (PR #221).
* Gene SBO terms are now recorded, after update in COBRA toolbox (PR #188).

### yeast 8.3.5:
* Fixes:
* Closes #129: Removed non-S288C genes (PR #211).
* Closes #198: Fixes function for converting model to anaerobic (PR #199).
* Tests:
* Added growth tests for carbon & nitrogen limitation (#199).
* Added test for computing gene essentiality (PR #200).
* Documentation/Others:
* Clarified with README's the purpose of each script/data folder (#209).
* Closes #206: Updated citation guidelines (PR #210).
* Updated contribution guidelines + issue/PR templates (PR #210).
* Created folders with deprecated scripts (PR #209).

### yeast 8.3.4:
* Features:
* Fixes #171: Added 101 GPR rules to transport rxns according to TCDB database (PR #178).
* Added 18 met formulas from manual search (PR #155).
* Performed gap-filling for connecting 29 dead-end mets, by adding 28 transport rxns (PR #185). Added documentation to the gap-filling functions in PR #195.
* Fixes:
* Corrected typo in gene ID (PR #186).

### yeast 8.3.3:
* Features:
* Fixes #107: Two new pseudoreactions (`cofactor pseudoreaction` and `ion pseudoreaction`) added to the model as extra requirements to the biomass pseudoreaction (PRs #174 & #183).
* Fixes:
* `addSBOterms.m` adapted to identify new pseudoreactions (PR #180).
* Removed non-compliant symbol from a reaction name to avoid parsing errors (PR #179).
* Documentation:
* Model keywords modified to comply with the sysbio rulebook (PR #173).
* Added citation guidelines (PR #181).

### yeast 8.3.2:
* Features:
* Fixes #154: MetaNetX IDs added from the yeast7.6 [MetaNetX](https://www.metanetx.org) model & from existing ChEBI and KEGG IDs in the model (PR #167).
* Introduced contributing guidelines + code of conduct (PR #175).
* Fixes:
* Fixes #161: Added as `rxnNotes` and `metNotes` the corresponding PR number (#112, #142, #149 or #156) in which each rxn and met was introduced (PR #170).
* Fixes #169: Compartment error for `r_4238` (PR #170).
* Corrected confidence score of rxns from PR #142 (PR #170).

### yeast 8.3.1:
* Features:
* Added 21 reactions & 14 metabolites based on metabolomics data (PR #156).
* Added metadata to the excel version of the model (PR #163).
* Added `ComplementaryData/physiology` with biological data of yeast (PR #159).
* Fixes/Others:
* Fixed bug that underestimated the biomass content (PR #159).
* Fitted GAM to chemostat data (PR #159).

### yeast 8.3.0:
* Features:
* Added 225 new reactions and 148 new metabolites, based on growth data from a Biolog substrate usage experiment on carbon, nitrogen, sulfur and phosphorus substrates (PR #149).
* Fixes/Others:
* Removed verbose details from `README.md` (PR #150).
* Updated RAVEN, which added extra annotation to the `.yml` file (PR #151).
* Minor changes to `saveYeastModel.m` (PR #152).
* Model is now stored simulating minimal media conditions (PR #157).

### yeast 8.2.0:
* Features:
* Fixes #38: Added 183 new reactions, 277 new metabolites and 163 new genes based on the latest genome annotation in SGD, uniprot, KEGG, Biocyc & Reactome (PR #142).
* Fixes:
* `grRules` deleted from pseudoreactions, removing with this 49 genes (PR #145).
* Chores:
* Updated COBRA, which changed the number of decimals in some stoichiometric coefficients in `.txt` (PR #143)

### yeast 8.1.3:
* Features:
* Added SBO terms for all metabolites and reactions, based on an automatic script now part of `saveYeastModel.m` (PR #132).
* `increaseVersion.m` now avoids conflicts between `devel` and `master` by erroring before releasing and guiding the admin to change first `devel` (PR #133).
* Website now available in `gh-pages` branch: http://sysbiochalmers.github.io/yeast-GEM/
* Fixes:
* Standardize naming of pseudo-metabolites "lipid backbone" & "lipid chain" (PR #130).
* Chores:
* Updated COBRA, which swapped around the order of the `bqbiol:is` and `bqbiol:isDescribedBy` qualifiers in the `.xml` file (PR #131).

### yeast 8.1.2:
* New features:
* `saveYeastModel.m` now checks if the model is a valid SBML structure; if it isn't it will error (PR #126).
* Date + model size in `README.md` updates automatically when saving the model (PR #123).
* Added `modelName` and `modelID`; the latter which will now store the version number (PR #127).
* Fixes:
* Fixes #60: New GPR relations for existing reactions were added according to new annotation from 5 different databases (PR #124).
* Various fixes in `README.md` (PR #123).

### yeast 8.1.1:
* Fixes:
* Fixes #96: regardless if the model is saved with a windows or a MAC machine, the `.xml` file is now stored with the same scientific format.
* Fixes #108: No CHEBI or KEGG ids are now shared by different metabolites. Also, updated the metabolites that were skipped in the previous manual curation (PR #74).
* Remade function for defining confidence scores, which fixed 38 scores in `rxnConfidenceScores` (most of them from pseudoreactions).
* `loadYeastModel` and `saveYeastModel` were improved to allow their use also when outside of the actual folder.

### yeast 8.1.0:
* New features:
* SLIME reactions added to the model using [SLIMEr](https://github.com/SysBioChalmers/SLIMEr), to properly account for constraints on lipid metabolism (fixes #21):
* SLIME rxns replace old ISA rxns for lumping lipids. They create 2 types of lipid pseudometabolites: backbones and acyl chains.
* There are now 3 lipid pseudoreactions: 1 constrains backbones, 1 constrains acyl chains, 1 merges both.
* Fixes:
* All metabolite formulas made compliant with SBML (fixes #19). Model is now a valid SBML object.
* Biomass composition was rescaled to experimental data from [Lahtvee et al. 2017](https://www.sciencedirect.com/science/article/pii/S2405471217300881), including protein and RNA content, trehalose and glycogen concentrations, lipid profile and FAME data. Biomass was fitted to add up to 1 g/gDW by rescaling total carbohydrate content (unmeasured).
* Refactoring:
* Organized all files in `ComplementaryData`

### yeast 8.0.2:
* New features:
* Model can now be used with cobrapy by running `loadYeastModel.py`
* `loadYeastModel.m` now adds the `rxnGeneMat` field to the model
* Refactoring:
* Moved `pmids` of model from `rxnNotes` to `rxnReferences` (COBRA-compliant)
* `yeastGEM.yml` and `dependencies.txt` are now updated by RAVEN (a few dependencies added)
* Moved `boundaryMets.txt` and `dependencies.txt` to the `ModelFiles` folder
* Documentation:
* Added badges and adapted README ro reflect new features

### yeast 8.0.1:
* `.yml` format included for easier visualization of model changes
* Empty notes removed from model
* Issue and PR templates included
* `README.md` updated to comply with new repo's name

### yeast 8.0.0:
First version of the yeast8 model, to separate it from previous versions:

* Manual curation project:
* All metabolite information manually curated (names, charges, kegg IDs, chebi IDs)
* Reaction gene rules updated with curation from [the iSce926 model](http://www.maranasgroup.com/submission_models/iSce926.htm). 13 genes added in this process
* Format changes:
* Folder `ComplementaryData` introduced
* All data is stored in `.tsv` format now (can be navigated in Github)
* Releases now come in `.xlsx` as well
* Other new features:
* Added `loadYeastModel.m`
* A much smarter `increaseVersion.m`
* Lots of refactoring

### yeast 7.8.3:
* curated tRNA's formulas
* started tracking COBRA and RAVEN versions
* dropped SBML toolbox as requirement
* reorganized `complementaryScripts`
* switched to a CC-BY-4.0 license

### yeast 7.8.2:
* fixed subSystems bug: now they are saved as individual groups
* solved inter-OS issues
* remade license to follow GitHub format
* added `history.md` and made it a requirement to update when increasing version

### yeast 7.8.1:
* started following dependencies
* started keeping track of the version in the repo (`version.txt`)
* included `.gitignore`
* dropped `.mat` storage for `devel` + feature branches (but kept it in `master`)

### yeast 7.8.0:
* Added information:
* `metFormulas` added for all lipids
* `rxnKEGGID` added from old version
* `rxnNotes` enriched with Pubmed ids (`pmid`) from old version
* `rxnConfidenceScores` added based on automatic script (available in [`ComplementaryScripts`](https://github.com/SysBioChalmers/yeast-GEM/blob/master/ComplementaryScripts))
* Format changes:
* Biomass clustered by 5 main groups: protein, carbohydrate, lipid, RNA and DNA

### yeast 7.7.0:
* Format changes:
* FBCv2 compliant
* Compatible with latest COBRA and RAVEN parsers
* Created main structure of repository
* Added information:
* `geneNames` added to genes based on [KEGG](http://www.genome.jp/kegg/) data
* `subSystems` and `rxnECnumbers` added to reactions based on [KEGG](http://www.genome.jp/kegg/) & [Swissprot](http://www.uniprot.org/uniprot/?query=*&fil=organism%3A%22Saccharomyces+cerevisiae+%28strain+ATCC+204508+%2F+S288c%29+%28Baker%27s+yeast%29+%5B559292%5D%22+AND+reviewed%3Ayes) data
* Boundary metabolites tracked (available in [`ComplementaryScripts`](https://github.com/SysBioChalmers/yeast-GEM/blob/master/ComplementaryScripts))
* Simulation improvements:
* Glucan composition fixed in biomass pseudo-rxn
* Proton balance in membrane restored
* Ox.Pho. stoichiometry fixed
* NGAM rxn introduced
* GAM in biomass pseudo-rxn fixed and refitted to chemostat data

### yeast 7.6.0:
First release of the yeast model in GitHub, identical to the last model available at https://sourceforge.net/projects/yeast/
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4 changes: 2 additions & 2 deletions model/yeast-GEM.xml
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<?xml version="1.0" encoding="UTF-8"?>
<sbml xmlns="http://www.sbml.org/sbml/level3/version1/core" xmlns:fbc="http://www.sbml.org/sbml/level3/version1/fbc/version2" xmlns:groups="http://www.sbml.org/sbml/level3/version1/groups/version1" level="3" version="1" fbc:required="false" groups:required="false">
<model metaid="yeastGEM_develop" id="yeastGEM_develop" name="The Consensus Genome-Scale Metabolic Model of Yeast" fbc:strict="true">
<model metaid="yeastGEM_v8.6.0" id="yeastGEM_v8__46__6__46__0" name="The Consensus Genome-Scale Metabolic Model of Yeast" fbc:strict="true">
<notes>
<body xmlns="http://www.w3.org/1999/xhtml">
<p>Saccharomyces cerevisiae - strain S288C</p>
</body>
</notes>
<annotation>
<rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:vCard="http://www.w3.org/2001/vcard-rdf/3.0#" xmlns:vCard4="http://www.w3.org/2006/vcard/ns#" xmlns:bqbiol="http://biomodels.net/biology-qualifiers/" xmlns:bqmodel="http://biomodels.net/model-qualifiers/">
<rdf:Description rdf:about="#yeastGEM_develop">
<rdf:Description rdf:about="#yeastGEM_v8.6.0">
<dcterms:creator>
<rdf:Bag>
<rdf:li rdf:parseType="Resource">
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---
!!omap
- metaData:
id: "yeastGEM_develop"
id: "yeastGEM_v8.6.0"
name: "The Consensus Genome-Scale Metabolic Model of Yeast"
date: "2022-05-14"
date: "2022-05-18"
givenName: "Eduard"
familyName: "Kerkhoven"
email: "[email protected]"
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1 change: 1 addition & 0 deletions version.txt
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8.6.0

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