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Methods for using the GECKO model with cobrapy

Project description

../README.rst

History

1.3.0 (2018-08-01)

  • Features:
    • Protein flexibilization: When proteomic measurements are provided, individual protein levels will now be iteratively flexibilized by the pipeline if the model results to be overconstrained, based on a provided growth rate. After this, flexibilized protein exchange pseudoreaction upper bounds will be set to the their flux values from a parsimonious FBA simulation (PR #34).
    • Utilities: Included a folder with useful functions (PR #34).
  • Fixes:
    • Fixes #14: CI is no longer failing, as model location, model naming and metabolite ID naming were corrected. test_adjust_pool_bounds was simplified to test with only 1 essential protein (PR #28).

1.2.1 (2018-05-30)

  • Features:
    • All genes from the original yeast model now included in the .xml file. Genes connected to enzyme constraints are now stored in model.enzGenes in the .mat structure.
    • Docs badge in README.
  • Fixes:
    • Fields grRules and rules fixed in a consistent way:
      • grRules for the backwards reactions are the same as for the forward ones.
      • For reactions catalyzed by just 1 enzyme (or complex), grRules of the original reactions are assigned to them.
      • For reactions catalyzed by more than 1 enzyme (or more than 1 complex), grRules of the original reactions are assigned to the arm reactions, and the corresponding sub-rules are assigned to the isozyme-controlled reactions.
      • For enzyme exchange reactions, grRules are assigned as thecorresponding gene ID.
      • The rules field is set equal to grRules for providing consistency with different toolboxes.
    • Inter-OS compatibility: * Numbers in scientific notation are stored in the .xml files with format Xe-0N, not Xe-00N, or with format Xe-1N, not Xe-01N, regardless of the OS used for generating them. * Numbers in all files are shown with up to 6 significant figures.
  • Refactoring:
    • Updated to new COBRA standards for addReaction usage.
  • NOTE: Not available in pypi (issue #14 unresolved)

1.2.0 (2018-04-12)

  • Implemented automatic kcat flexibilization for over-constrained models:
    • Based on a maximum growth rate specified by the user, the algorithm iteratively identifies the top growth-limiting kcat value and changes it for the highest one in BRENDA (same EC number)
    • Once that the model is growing close to the set value, the average enzyme saturation factor is refitted
    • For non-feasible/zero-growth models, sensitivity analysis is performed on a reaction and enzyme basis rather than on individual kcat values
    • The outputs of this step are stored in topUsedEnzymes.txt and kcatModification.txt and can be used for further manual curation
  • All databases updated (BRENDA, swissprot, KEGG, PaxDB)
  • More generic gene/protein matching for compatibility with other models
  • Re-organization of all output files in a single folder
  • New badges + styling of website
  • NOTE: Not available in pypi (issue #14 unresolved)

1.1.2 (2018-03-20)

  • Improved kcat matching to BRENDA with:
    1. Specific activity
    2. Phylogenetic distance, when data for organism of choice is not available
  • Switched to readthedocs for documentation: http://geckotoolbox.readthedocs.io
  • Added a Gitter room for discussion: https://gitter.im/SysBioChalmers/GECKO
  • Switched to a simplified GitFlow structure (master + devel + feature branches)
  • Python 3.4 environment dropped in CI (no longer supported by pandas)
  • NOTE: Not available in pypi (issue #14 unresolved)

1.1.1 (2017-12-08)

  • Model and data are now also deployed.
  • Changes in license and readme.

1.1.0 (2017-09-07)

  • First release on PyPI.

1.0.0 (2017-09-07)

  • First release of GECKO in Github.

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