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feat: curate lipid metabolism #28

Merged
merged 9 commits into from
Jun 26, 2019
Merged

feat: curate lipid metabolism #28

merged 9 commits into from
Jun 26, 2019

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edkerk
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@edkerk edkerk commented Jun 25, 2019

  • feat:
    • init_rhto-GEM.m script that prepares MATLAB environment with path to repo's folders
    • modified reconstruction scripts to use folder locations specified with init_rhto-GEM.m
    • makeLipidRxns now takes list of acyl-chain configurations, instead of defining these by itself from a list of allowed acyl-chains.
  • fix:
    • curate acyl-chains: simplify number of possible chain combinations, based on measured chain distribution (e.g. 16:1 level is around 1% and therefore not included in the biomass), and distribution of acyl-chains on TAGs (10.1007/s00253-017-8126-7): sn-1 is 16:0 or 18:0, sn-2 is 18:1, 18:2 or 18:3; sn-3 is 16:0, 18:0 or 18:1.
    • simplified mitochondrial beta oxidation, by discarding degradation of unsaturated FAs
    • use template SLIMER reactions
    • various curations of lipid metabolism
    • remove reactions describing protein modifications: not part of central metabolism and outside of scope of the model.

edkerk added 9 commits March 31, 2019 19:01
- otherwise xylose cannot be used as carbon source
- measured at low amounts (16:1, ~1%) or not at all (PG), so discard from lipid pseudoreactions, but keep biosynthetic reactions (but don't include in expanded lipid reactions with all chain combinations)
- one reaction added to make the pathway functional
- for simplification, only model degradation of saturated fatty acids
- redefined acyl-chains for each lipid species, simplified to reduce complexity
- redefined SLIMEr and transport reactions to cover only the chain-distributions that are included in the model
- manual curation of missing lipid reactions
- run init_rhtoGEM to set location of some folders
- changes are part of reconstruction scripts
- and end each file with empty line
@edkerk edkerk merged commit 817b684 into devel Jun 26, 2019
@edkerk edkerk deleted the fix/curate_1-1-2 branch June 26, 2019 08:41
@edkerk edkerk mentioned this pull request Jul 23, 2019
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