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yeast8.4.1 #241

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Jul 20, 2020
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3941cde
fix-bug: mixed ID for MNXID and Notes
feiranl Jun 4, 2020
d3d7d71
fix: update with optimizeCbModel new output
feiranl Jun 4, 2020
c5b0d64
fix: remove authorships in scripts
BenjaSanchez Jun 18, 2020
c82e696
fix: update the missing BIGG IDs here in the notes part and also remo…
feiranl Jun 19, 2020
e17e007
Merge pull request #230 from SysBioChalmers/fix/remove-authorships
edkerk Jun 20, 2020
ce05769
Merge branch 'devel' into fix-MNXbug
BenjaSanchez Jun 22, 2020
af02d9a
Merge pull request #226 from SysBioChalmers/fix-MNXbug
BenjaSanchez Jun 23, 2020
b49f192
doc: clarify Zenodo authorships
BenjaSanchez Jun 25, 2020
c1a34dc
doc: misc releasing guidelines
BenjaSanchez Jun 25, 2020
fb2523c
Merge pull request #233 from SysBioChalmers/fix/releasing-guidelines
BenjaSanchez Jun 26, 2020
1ba4356
feat: create requirements via pip-tools
BenjaSanchez Jul 2, 2020
88e1668
feat: dev-requirements
BenjaSanchez Jul 2, 2020
02032da
feat: switch to touch for creating .env
BenjaSanchez Jul 3, 2020
3bf7462
refactor: simplify dev-requirements.in
BenjaSanchez Jul 3, 2020
fcd8771
doc: managing python dependencies
BenjaSanchez Jul 3, 2020
5d0d311
Merge pull request #235 from SysBioChalmers/feat/pip-tools
BenjaSanchez Jul 6, 2020
03d3007
fix-rxn: change dubious metabolite name
edkerk Jul 15, 2020
4c5888e
fix-rxn: r_0241 correct cofactor
edkerk Jul 15, 2020
cd1bae2
fix-rxn: r_0774 and r_0775 involve ATP hydrolysis
edkerk Jul 15, 2020
23d9218
fix-rxn: remove incorrect gene and EC number
edkerk Jul 15, 2020
0e3253a
Merge pull request #237 from SysBioChalmers/fix/misc
edkerk Jul 16, 2020
975a27b
doc: visualization instructions
BenjaSanchez Jul 17, 2020
9979fcd
doc: correct metabolic atlas links
BenjaSanchez Jul 17, 2020
cd65a6a
Merge pull request #240 from SysBioChalmers/doc/yeast-gem-viz
BenjaSanchez Jul 17, 2020
a612772
chore: update dependencies
BenjaSanchez Jul 17, 2020
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28 changes: 22 additions & 6 deletions .github/CONTRIBUTING.md
Original file line number Diff line number Diff line change
Expand Up @@ -163,6 +163,7 @@ Every pull request must be approved by at least one reviewer before it can be me
This section is meant for the administrator of this repo. The main duties of the administrator are:
* To make sure conventions and standards in the model are kept.
* To keep the repository clean and organized, i.e. avoid redundancy in functions and/or data, and keep coherency in naming of files.
* To manage package dependencies and regularly update them.
* To help in the reviewing process of external pull requests by assigning reviewers, [labels](https://github.com/SysBioChalmers/yeast-GEM/issues/labels) and [projects](https://github.com/SysBioChalmers/yeast-GEM/projects), if applicable.
* To keep [issues](https://github.com/SysBioChalmers/yeast-GEM/issues) with the proper labels, and to close them once they are fixed in the `master` branch.
* In cases of disagreement between contributors, to decide how to resolve the issue.
Expand All @@ -175,6 +176,21 @@ The following points should be considered when merging branches to `devel`:
* Wait at least a day before merging, to allow other developers to inspect the pull request.
* As soon as the branch is merged, check if `devel` is still possible to merge to `master` (this can be checked [here](https://github.com/SysBioChalmers/yeast-GEM/compare/devel)). If conflicts appear (which should rarely happen and only if the `.xml` file was changed in an unexpected way by a toolbox update), fix the conflict _locally_ as soon as possible in `devel` and then push it (note, **DO NOT** pull any other changes from `master` to `devel`, just the single file that is creating the conflict).

### Managing python dependencies

We use [pip-tools](https://github.com/jazzband/pip-tools) for managing dependencies:

* If a new dependency is needed for users/developers:
1. Add the dependency to `/requirements/requirements.in` or `/requirements/dev-requirements.in`, respectively (note that by default any requirement in `requirements.in` will also be in `dev-requirements.in`).
2. From `/requirements`, run `pip-compile requirements.in` and/or `pip-compile dev-requirements.in` as needed.

* If dependencies need to be upgraded, from `/requirements` run:
```
pip-compile --upgrade requirements.in
pip-compile --upgrade dev-requirements.in
```
Dependencies should be upgraded regularly, but always first tested in separate branches.

### Releasing a new version

* A merge of `devel` with `master` invokes a new release.
Expand All @@ -196,19 +212,19 @@ yeast-GEM follows [semantic versioning](https://semver.org/), adapted to GEMs:

When releasing, please follow these steps:
1. Make sure all dependencies in `devel` correspond to the setup from the local computer from which the release will be made. If not, make a single commit in `devel` updating this with a `loadYeastModel`/`saveYeastModel` cycle.
2. Create a pull request from `devel` to `master`, indicating all new features/fixes/etc. and referencing every previous pull request included (examples [here](https://github.com/SysBioChalmers/yeast-GEM/releases)). Tip: if any [issue](https://github.com/SysBioChalmers/yeast-GEM/issues) gets solved in the release, write in the pull request description "Fixes #X", where "X" is the issue number. That way the issue will be automatically closed after merge.
2. Create a pull request from `devel` to `master`, indicating all new features/fixes/etc. and referencing every previous pull request included (examples [here](https://github.com/SysBioChalmers/yeast-GEM/releases)). Tip: if any [issue](https://github.com/SysBioChalmers/yeast-GEM/issues) gets solved in the release, write in the pull request description "Closes #X", where "X" is the issue number. That way the issue will be automatically closed after merge.
3. Merge at least a day after (having at least one accepted review).
4. Switch locally to `master` and update `history.md`, by putting at the top the same description of the corresponding PR from step 2.
4. Switch locally to `master`, pull changes and update `history.md`, by putting at the top the same description of the corresponding PR from step 2.
5. Bump version with `increaseVersion.m`. **NOTE:** The function will error if unexpected changes are occurring. If this happens, probably step 1 was done incorrectly. To fix it, commit in `devel` any necessary changes and make a new pull request.
6. Commit changes from steps 4 and 5 with the message `chore: version X.Y.Z`.
6. Commit changes from steps 4 and 5 with the message `chore: version X.Y.Z`, and push to the remote.
7. Make the new release at GitHub [here](https://github.com/SysBioChalmers/yeast-GEM/releases/new), using the proper tag "vX.Y.Z" and with the same description as the corresponding PR from step 2.
8. Pull from `master` to `gh-pages` to update the landing page.
8. Merge locally `master` into `gh-pages` and push to update the landing page.
9. Review the [Zenodo](https://zenodo.org) release: Every new release from Github (step 7) automatically triggers a new release in Zenodo. However, so far it is not possible to fully customize this release, and some manual curation is needed. This includes:
* Ensuring the title of the release has the format `SysBioChalmers/yeast-GEM: yeast X.Y.Z`.
* Correcting author names.
* Correcting author names to include all commit authors and PR reviewers that contributed to the release.
* Ensuring the version of the release has the format `vX.Y.Z`.
* Setting the language to English.
* Adding any Grant IDs (if applicable).
* Adding any grant IDs (if applicable).

Make sure to both save & publish your edits. You will find the new release at the top of [all Zenodo releases](https://zenodo.org/search?page=1&size=20&q=conceptrecid:%221494182%22&sort=-publication_date&all_versions=True). Note that it might take some minutes for the Zenodo release to appear after you create the release in Github.

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58 changes: 29 additions & 29 deletions ComplementaryData/modelCuration/GapfillingnewRxnProp.tsv
Original file line number Diff line number Diff line change
@@ -1,29 +1,29 @@
rxnID rev GPR standard_name EC rxnID_kegg rxnID_MNX Source;reason
MNXR94845 1 3-(4-hydroxyphenyl)pyruvate transport MNXR94845 seed:rxn09802; unknown transporter
MNXR95431 1 acetate transport MNXR95431 rhea:27814; unknown transporter
MNXR95481 1 ADP-ribose transport MNXR95481 bigg:ADPRIBt; unknown transporter
MNXR99646 1 farnesyl diphosphate transport MNXR99646 seed:rxn13290; unknown transporter
MNXR101858 1 nicotinate transport MNXR101858 seed:rxn12806; unknown transporter
MNXR135002 1 O-phosphoethanolamine transport MNXR135002 seed:rxn05716; unknown transporter
MNXR102871 1 phosphate transport MNXR102871 rhea:32823; bigg:PItg; unknown transporter
MNXR106312 0 propionyl-CoA transport MNXR106312 bigg:r2499; unknown transporter
MNXR105076 1 UDP transport MNXR105076 bigg:UDPtg; unknown transporter
MNXR105076_2 1 UDP transport MNXR105076 bigg:UDPtg; unknown transporter
MNXR105127 1 UMP transport MNXR105127 rhea:27926; unknown transporter
MNXR104921 1 TRX1 disulphide transport MNXR104921 seed:rxn13406; unknown transporter
MNXR99110 1 oleate transport MNXR99110 rhea:33655; unknown transporter
MNXR95426 1 (R)-acetoin transport MNXR95426 bigg:ACTNt2r; unknown transporter
MNXR100259 1 L-glutamine transport MNXR100259 seed:rxn08625; bigg:GLNtm; unknown transporter
MNXR105127_2 1 UMP transport MNXR105127 rhea:27926; unknown transporter
MNXR95809 1 S-adenosyl-L-methionine transport MNXR95809 seed:rxn09784; bigg:AMETtn; unknown transporter
MNXR100449 1 glutathione transport MNXR100449 seed:rxn08677; unknown transporter
MNXR96123 1 ATP transport 2.7.4.6 MNXR96123 rhea:34999; unknown transporter
MNXR101385 1 D-mannose 6-phosphate transport MNXR101385 seed:rxn08880; unknown transporter
MNXR95416 1 O-acetyl-L-serine transport MNXR95416 rhea:29659; bigg:ACSERtmi; unknown transporter
MNXR100494 1 hydrogen sulfide transport MNXR100494 seed:rxn08689; unknown transporter
MNXR97002 1 L-cysteinylglycine transport MNXR97002 seed:rxn05529; unknown transporter
MNXR96123_2 1 ATP transport 2.7.4.6 MNXR96123 rhea:34999; unknown transporter
MNXR104966 1 thiosulfate transport MNXR104966 rhea:32807; unknown transporter
MNXR104460 1 sulphite transport MNXR104460 seed:rxn09260; unknown transporter
MNXR105071 1 UDP-D-glucose transport MNXR105071 seed:rxn09353; unknown transporter
MNXR105021 1 UDP-N-acetyl-alpha-D-glucosamine transport MNXR105021 seed:rxn09342; unknown transporter
rxnID rev GPR standard_name EC rxnID_kegg rxnID_MNX bigg Source;reason
MNXR94845 1 3-(4-hydroxyphenyl)pyruvate transport MNXR94845 seed:rxn09802; unknown transporter
MNXR95431 1 acetate transport MNXR95431 rhea:27814; unknown transporter
MNXR95481 1 ADP-ribose transport MNXR95481 ADPRIBt unknown transporter
MNXR99646 1 farnesyl diphosphate transport MNXR99646 seed:rxn13290; unknown transporter
MNXR101858 1 nicotinate transport MNXR101858 seed:rxn12806; unknown transporter
MNXR135002 1 O-phosphoethanolamine transport MNXR135002 seed:rxn05716; unknown transporter
MNXR102871 1 phosphate transport MNXR102871 PItg rhea:32823; unknown transporter
MNXR106312 0 propionyl-CoA transport MNXR106312 r2499 unknown transporter
MNXR105076 1 UDP transport MNXR105076 UDPtg unknown transporter
MNXR105076_2 1 UDP transport MNXR105076 UDPtg unknown transporter
MNXR105127 1 UMP transport MNXR105127 rhea:27926; unknown transporter
MNXR104921 1 TRX1 disulphide transport MNXR104921 seed:rxn13406; unknown transporter
MNXR99110 1 oleate transport MNXR99110 rhea:33655; unknown transporter
MNXR95426 1 (R)-acetoin transport MNXR95426 ACTNt2r unknown transporter
MNXR100259 1 L-glutamine transport MNXR100259 GLNtm seed:rxn08625; unknown transporter
MNXR105127_2 1 UMP transport MNXR105127 rhea:27926; unknown transporter
MNXR95809 1 S-adenosyl-L-methionine transport MNXR95809 AMETtn seed:rxn09784;unknown transporter
MNXR100449 1 glutathione transport MNXR100449 seed:rxn08677; unknown transporter
MNXR96123 1 ATP transport 2.7.4.6 MNXR96123 rhea:34999; unknown transporter
MNXR101385 1 D-mannose 6-phosphate transport MNXR101385 seed:rxn08880; unknown transporter
MNXR95416 1 O-acetyl-L-serine transport MNXR95416 ACSERtmi rhea:29659;unknown transporter
MNXR100494 1 hydrogen sulfide transport MNXR100494 seed:rxn08689; unknown transporter
MNXR97002 1 L-cysteinylglycine transport MNXR97002 seed:rxn05529; unknown transporter
MNXR96123_2 1 ATP transport 2.7.4.6 MNXR96123 rhea:34999; unknown transporter
MNXR104966 1 thiosulfate transport MNXR104966 rhea:32807; unknown transporter
MNXR104460 1 sulphite transport MNXR104460 seed:rxn09260; unknown transporter
MNXR105071 1 UDP-D-glucose transport MNXR105071 seed:rxn09353; unknown transporter
MNXR105021 1 UDP-N-acetyl-alpha-D-glucosamine transport MNXR105021 seed:rxn09342; unknown transporter
Original file line number Diff line number Diff line change
Expand Up @@ -4,8 +4,6 @@
% iSce926 source: http://www.maranasgroup.com/submission_models/iSce926.htm
%
% NOTE: changeGeneAssociation.m is a function from cobra
%
% Hongzhong Lu & Benjam�n S�nchez
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

%Load model:
Expand Down
Original file line number Diff line number Diff line change
Expand Up @@ -10,8 +10,6 @@
% growth rates (Van Hoek et al. 1988)
%
% Function adapted from SLIMEr: https://github.com/SysBioChalmers/SLIMEr
%
% Benjamin Sanchez. Last update: 2018-09-07
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

function fixBiomassComp
Expand Down
Original file line number Diff line number Diff line change
@@ -1,8 +1,6 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% makeFormulasCompliant.m
% Corrects SBML-incompatible metabolite formulas.
%
% Benjam�n J. S�nchez
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

%aa codes:
Expand Down
Original file line number Diff line number Diff line change
@@ -1,8 +1,6 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% modelCorrections.m
% Corrects various issues in yeast7
%
% Benjam�n J. S�nchez
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

%Correct glucan coefficients in biomass reaction
Expand Down
Original file line number Diff line number Diff line change
@@ -1,8 +1,6 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% formula = takeOutFromFormula(formula,elements)
% Takes away from formula each of the elements specified.
%
% Benjam�n J. S�nchez
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

function formula = takeOutFromFormula(formula,elements)
Expand Down
Original file line number Diff line number Diff line change
Expand Up @@ -2,9 +2,6 @@
% model = updateMetaboliteFormula(model)
%
% Reads the data file and updates the metabolite formula information in the model
%
% William T. Scott, Jr.
% Last Update: 2018-08-23
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

% Load model
Expand Down
2 changes: 0 additions & 2 deletions ComplementaryScripts/deprecated/otherChanges/addSLIMErxns.m
Original file line number Diff line number Diff line change
@@ -1,7 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% addSLIMErxns
%
% Benjam�n J. S�nchez
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

%Start COBRA & load model:
Expand Down
2 changes: 0 additions & 2 deletions ComplementaryScripts/deprecated/otherChanges/clusterBiomass.m
Original file line number Diff line number Diff line change
@@ -1,7 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% model = clusterBiomass(model)
%
% Benjam�n J. S�nchez
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

function model = clusterBiomass(model)
Expand Down
Original file line number Diff line number Diff line change
Expand Up @@ -9,8 +9,6 @@
% We also had to remove "-" characters from gene names to "_", since
% otherwise gene-reaction association information is lost for several
% reactions in FBC v2 file.
%
% Simonas Marci�auskas
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

% Firstly loading an old COBRA version, i.e. the latest commit before
Expand Down
2 changes: 0 additions & 2 deletions ComplementaryScripts/increaseVersion.m
Original file line number Diff line number Diff line change
Expand Up @@ -12,8 +12,6 @@ function increaseVersion(bumpType)
%
% Usage: increaseVersion(bumpType)
%
% Benjamin Sanchez, 2018-09-25
%

%Check if in master:
currentBranch = git('rev-parse --abbrev-ref HEAD');
Expand Down
2 changes: 0 additions & 2 deletions ComplementaryScripts/loadYeastModel.m
Original file line number Diff line number Diff line change
@@ -1,8 +1,6 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% model = loadYeastModel
% Loads model and adds the rxnGeneMatrix to the structure
%
% Benjamín J. Sánchez
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

function model = loadYeastModel
Expand Down
2 changes: 0 additions & 2 deletions ComplementaryScripts/missingFields/GetMNXID.m
Original file line number Diff line number Diff line change
Expand Up @@ -13,8 +13,6 @@
%
% Usage: model = GetMNXID(model,type,level)
%
% Feiran Li, 2018-09-18
%

if nargin<3
level = 1;
Expand Down
3 changes: 0 additions & 3 deletions ComplementaryScripts/missingFields/addBiGGidentifiers.m
Original file line number Diff line number Diff line change
Expand Up @@ -3,9 +3,6 @@
% Loads the model, adds all BiGG identifiers for both metabolites and
% reactions, and saves the model back.
%
% Sebastian N. Mendoza, 2019-03-15
% Benjamin J. Sanchez, 2020-05-05
%

% Load model:
cd ..
Expand Down
2 changes: 0 additions & 2 deletions ComplementaryScripts/missingFields/addConfidenceScores.m
Original file line number Diff line number Diff line change
Expand Up @@ -6,8 +6,6 @@
% Reactions without gene but need for modelling: 1
% Reactions without gene: 0
% Exchange reactions: NaN
%
% Hongzhong Lu & Benjamín J. Sánchez
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

function model = addConfidenceScores(model)
Expand Down
2 changes: 0 additions & 2 deletions ComplementaryScripts/missingFields/addGeneNames.m
Original file line number Diff line number Diff line change
@@ -1,7 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% model = addGeneNames(model)
%
% Benjam�n J. S�nchez
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

function model = addGeneNames(model)
Expand Down
2 changes: 0 additions & 2 deletions ComplementaryScripts/missingFields/addSBOterms.m
Original file line number Diff line number Diff line change
@@ -1,7 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% model = addSBOterms(model)
%
% Benjamin J. Sanchez. Last update: 2018-11-26
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

function model = addSBOterms(model)
Expand Down
2 changes: 0 additions & 2 deletions ComplementaryScripts/missingFields/changeRules.m
Original file line number Diff line number Diff line change
@@ -1,7 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% model = changeRules(model)
%
% Benjam�n J. S�nchez
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

function model = changeRules(model)
Expand Down
2 changes: 0 additions & 2 deletions ComplementaryScripts/missingFields/deleteRepeated.m
Original file line number Diff line number Diff line change
Expand Up @@ -4,8 +4,6 @@
% only non repeated elements, and also the list of the positions deleted.
%
% NOTE: Must be a string or cell array
%
% Benjam�n J. S�nchez
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

function [list,deleted] = deleteRepeated(list)
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2 changes: 0 additions & 2 deletions ComplementaryScripts/missingFields/findInDB.m
Original file line number Diff line number Diff line change
@@ -1,8 +1,6 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% [uni,EC] = findInDB(rxn_pos,model,DB)
% Matches the uniprot and EC number for a given rxn into a given database.
%
% Benjam�n J. S�nchez
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

function [uni,EC] = findInDB(rxn_pos,model,DB)
Expand Down
2 changes: 0 additions & 2 deletions ComplementaryScripts/missingFields/findSubSystem.m
Original file line number Diff line number Diff line change
@@ -1,7 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% subSystem = findSubSystem(uniprot,kegg)
%
% Benjam�n J. S�nchez
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

function subSystem = findSubSystem(uniprot,kegg)
Expand Down
2 changes: 0 additions & 2 deletions ComplementaryScripts/missingFields/getAllPath.m
Original file line number Diff line number Diff line change
Expand Up @@ -11,8 +11,6 @@
% OUTPUTS:
% FinalGenesets All gene sets with only "ANDs" (cell array)
% FinalReactions New reaction IDs (cell array)
%
% Cheng Zhang
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

function [FinalGenesets, FinalReactions] = getAllPath(model,reaction)
Expand Down
2 changes: 0 additions & 2 deletions ComplementaryScripts/missingFields/getMissingFields.m
Original file line number Diff line number Diff line change
@@ -1,7 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% model = getMissingFields(model)
%
% Benjam�n J. S�nchez
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

function model = getMissingFields(model)
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2 changes: 0 additions & 2 deletions ComplementaryScripts/missingFields/mapIDsViaMNXref.m
Original file line number Diff line number Diff line change
Expand Up @@ -18,8 +18,6 @@
%
% Usage: targetList=mapIDsViaMNXref(type,queryList,fromDB,toDB)
%
% Hao Wang, 2018-05-23
%

targetList={};

Expand Down
2 changes: 0 additions & 2 deletions ComplementaryScripts/modelCuration/CheckBalanceforSce.m
Original file line number Diff line number Diff line change
Expand Up @@ -2,8 +2,6 @@
% the input is model and new reaction ID lists
% output is a result with pass or error
% NOTE: getElementalBalance.m is a function from raven
%
% Feiran Li
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

function [MassChargeresults] = CheckBalanceforSce(model,rxn,MassChargeresults)
Expand Down
8 changes: 3 additions & 5 deletions ComplementaryScripts/modelCuration/CheckEnergyProduction.m
Original file line number Diff line number Diff line change
Expand Up @@ -2,8 +2,6 @@
% ATP and NADH production
% the input is model and new reaction ID lists
% output is a result with pass or error
%
% Feiran Li
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

function [energyResults,redoxResults] = CheckEnergyProduction(model,rxn,energyResults,redoxResults)
Expand All @@ -21,9 +19,9 @@
mets,coefs,false,0,1000);
model_test = changeObjective(model_test,'GenerateATP', 1);
sol = optimizeCbModel(model_test);
if sol.obj <= 360 && sol.obj > 0 %later can be changed to the experimental value
if sol.f <= 360 && sol.f > 0 %later can be changed to the experimental value
energyResults = [energyResults; model.rxns(rxnID),'pass',num2str(sol.obj)];
elseif sol.obj > 360
elseif sol.f > 360
energyResults = [energyResults; model.rxns(rxnID),'Fail',num2str(sol.obj)];
else
energyResults = [energyResults; model.rxns(rxnID),'error','error'];
Expand All @@ -39,7 +37,7 @@
mets,coefs,false,0,1000);
model_test = changeObjective(model_test, model_test.rxns(end), 1);
sol = optimizeCbModel(model_test);
if sol.obj <= 120 && sol.obj > 0 %later can be changed to the experimental value
if sol.f <= 120 && sol.f > 0 %later can be changed to the experimental value
redoxResults = [redoxResults; model.rxns(rxnID),'pass',num2str(sol.obj)];
elseif sol.obj > 120
redoxResults = [redoxResults; model.rxns(rxnID),'Fail',num2str(sol.obj)];
Expand Down
2 changes: 0 additions & 2 deletions ComplementaryScripts/modelCuration/MissingTransDeadEnd.m
Original file line number Diff line number Diff line change
Expand Up @@ -6,8 +6,6 @@
% DEM_reason is a combined list with possible reasons for all
% deadend mets.
% output format for canbesolved: deadentMetsName MNXID deadendMetsInanotherComps Possible solution
% Feiran Li 2019-02-01
% Feiran Li 2019-07-22 update some field name in case of casuing confusion

model_org = model;
changeCobraSolver('gurobi', 'LP');
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2 changes: 0 additions & 2 deletions ComplementaryScripts/modelCuration/SubstrateUsage.m
Original file line number Diff line number Diff line change
Expand Up @@ -6,8 +6,6 @@
% it can be used as a "solo" substrate.
%
% NOTE: requires COBRA
%
% Feiran Li 2018-08-25
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

% Load model:
Expand Down
2 changes: 0 additions & 2 deletions ComplementaryScripts/modelCuration/UpdateDBnewRxn.m
Original file line number Diff line number Diff line change
Expand Up @@ -7,8 +7,6 @@
% Before run the codes below, the file should be manually editted.
% COBRA required.
% New reaction should be in .tsv format.
%
% Feiran Li & Hongzhong Lu
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

% Load model
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2 changes: 0 additions & 2 deletions ComplementaryScripts/modelCuration/addBiologRxnToGEM.m
Original file line number Diff line number Diff line change
Expand Up @@ -6,8 +6,6 @@
% Biolog_newRxnMet.tsv.
%
% NOTE: changeGeneAssociation.m is a function from COBRA
%
% Feiran Li 2018-08-25
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

% Load model:
Expand Down
Loading