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Sco-GEM 1.3.1 #146

Merged
merged 79 commits into from
Apr 4, 2021
Merged

Sco-GEM 1.3.1 #146

merged 79 commits into from
Apr 4, 2021

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edkerk
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@edkerk edkerk commented Apr 4, 2021

Main improvements in this PR:

  • fix:
  • doc:
    • in development branches remove model stats from README.md

I hereby confirm that I have:

  • Tested my code with all requirements for running the model
  • Selected master as a target branch (top left drop-down menu)

sulheim and others added 30 commits November 15, 2020 20:39
- remove 3dmet, cas, kegg.drugs, kegg.orthology
- correct metabetx to metanetx
- correct a few CHEBI%3A to CHEBI:
- see issue #106, experimental prove
- move /ComplementaryScripts to /scripts
- move scripts specific for Sulheim et al. 2020 to /scripts/sulheim2020
- move /ComplementaryData to /data
- move dataspecific for Sulheim et al. 2020 to /data/sulheim2020
- to follow standard-GEM, use /code
- rename /ModelFiles to /model to agree with standard-GEM
- move ec-models to /data/sulheim2020/ecmodel/ecmodels as they are specific for Sulheim et al. 2020
- follow standard-GEM
refactor: modified file and folder structure
- not all reactions were properly sorted in previous model file
- fix finding SBO terms
- cobra 0.20 adds zero charge for metabolite without specified charge
- update yaml
- remove GO and PFAM gene annotation (#105)
- replace pubchem.substance with pubchem.compound annotations (#105)
fix: annotations and minor reaction curations
- search for proteome:UP000001973
- edited file to separate genes with identical uniprot ID
- gene name information supplemented from:
  - genome file: https://www.sanger.ac.uk/resources/downloads/bacteria/streptomyces-coelicolor.html
  - few manual searches in http://strepdb.streptomyces.org.uk/
  - few references to papers
sulheim and others added 26 commits January 27, 2021 11:16
Added som space, comments, and rearranged some lines to increase readability of code resolving issue #89
* fix: remove remaining glucose anomer reactions

* doc: increase readability

Added som space, comments, and rearranged some lines to increase readability of code resolving issue #89

* feat: subroutine to load latest master model version

* chore: all model changes tracked in code

* feat: increaseVersion function

- should be run on `master` branch to prepare for a new release

* fix: bug in #129

* chore: model I/O

Co-authored-by: Snorre Sulheim <[email protected]>
fix: remove remaining glucose anomers
- these pseudorxns are included to be able to activate reactions with unknown redox co-factor (donor or acceptor), but also has the risk to introduce unrealistic loops and unnaturally links NADPH and NADH pools. Reactions will remain in the model to allow enabling the reactions with unknown redox co-factor, while blocking it by default.
* feat: separate requirements.txt for sulheim2020

* doc: update folder-specific README.md
* doc: updated README.md

- updated instructions on model usage and contribution

* doc: new contributing guidelines

- also, template for new curations, as referred to in contributing guidelines.

* refactor: v1_3_0.py adjusted to template

* fix: incorrect syntax export function

* doc: text review

Very minor textual changes.

Co-authored-by: Snorre Sulheim <[email protected]>
* feat: subroutine to load latest master model version

* chore: all model changes tracked in code

* feat: increaseVersion function

- should be run on `master` branch to prepare for a new release

* chore: remove history.rst from devel branch

- will be replaced with history.md in master branch only

* fix: bug in #129

* chore: model I/O

* feat: use dotenv to indicate root of repository

* feat: load previous model from version tag

e.g. `export.get_earlier_model_unversioned('v1.2.1')`

* fix: remove unused gene SCO2529

Co-authored-by: Snorre Sulheim <[email protected]>
* fix: remove invalid refseq ids

- starting with WP not valid according to identifiers.org

* fix: legacy support get_earlier_model_unversioned

- older versions of the model were stored with different folder structure

* chore: update travis and memote scripts

* chore: gitattributes text=auto for line-endings

* refactor: basic_test and growth_test

* feat: increaseVersion includes memote score

* fix: remove boundary metabolites

solves #136

* chore: travis bump python to 3.8
Must be merged with `devel` before Travis is using the changes..
should be mentioned in travis.yml, not travis_deploy.sh
- travis_wait prevents showing memote output in realtime when running on Travis, making it more difficult to see what is happening.
- just skip the test that is taking so long (other tests run in <3 mins, test_inconsistent_min_stoichiometry takes >1.5 h), it failed anyway
fix: revert travis time-out, skip memote test
and print memote output to log, handling of failed Memote run
in `devel`, model stats might not agree with the actual model in this branch. Do not report this in `devel`.
NOTE: after next PR to `master`, locally revert this change in README.md before running increaseVersion.py
Curate selected ec-codes and KEGG reaction IDs, and remove unused metabolite g1p_B_c (solves #111)
@edkerk edkerk added this to the 1.3.1 milestone Apr 4, 2021
@edkerk edkerk marked this pull request as ready for review April 4, 2021 19:17
@edkerk edkerk merged commit 63cddc2 into master Apr 4, 2021
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edkerk commented Apr 4, 2021

I tried to resolve a merge conflict, and thereby already merged this PR with master. The merge conflict, together with the long list of commits mentioned in this PR, seems to be an artifact of PR #122 having been "squash merged". A better solution would be "rebase merge" in PR to devel, and normal "merge commit" in PR to master. Will document this in contributor guidelines.

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