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fix-met.prop: correct metFormulas #155

Merged
merged 7 commits into from
Dec 11, 2018
Merged

fix-met.prop: correct metFormulas #155

merged 7 commits into from
Dec 11, 2018

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wtscott31
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@wtscott31 wtscott31 commented Sep 3, 2018

Main improvements in this PR:

This improves and updates the metabolites within the model that previously did not have formulas. The formulas were identified and classified with corresponding sources for some metabolites and furthermore listed with associated metabolite IDs.

I hereby confirm that I have:

  • Tested my code with all requirements for running the model
  • Selected devel as a target branch (top left drop-down menu)
  • If needed, asked first in the Gitter chat room about this PR

This updates the list of metabolites that previously had no formulas. ardicdavis and I found formulas for some metabolites and furthermore added metabolite ids, and sources.
@BenjaSanchez BenjaSanchez self-requested a review September 4, 2018 08:46
@BenjaSanchez BenjaSanchez added the wip work in progress label Sep 7, 2018
@BenjaSanchez BenjaSanchez added the standby work somewhere else is needed before advancing label Nov 9, 2018
@BenjaSanchez BenjaSanchez self-assigned this Nov 26, 2018
* remove rows with no formulas (redundant)
* remove undesired ' characters
* some bugs in function
as complex carbohydrates have varying length, it's best to use the monomeric form
@BenjaSanchez BenjaSanchez removed the standby work somewhere else is needed before advancing label Dec 6, 2018
@BenjaSanchez BenjaSanchez removed the wip work in progress label Dec 10, 2018
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@wtscott31 Thank you for the contribution! I added my edits and now looks good to merge. Note that for glycogen & mannan I replaced your proposed formulas for the monomeric forms (i.e. glucose & mannose, respectively), as we used those molecular weights for computing the abundances [mmol/gDW] in the biomass pseudo-reaction. It's also the proper way if we wish to aim for mass balances in the reactions that produce them.

@BenjaSanchez BenjaSanchez merged commit e0b6846 into SysBioChalmers:devel Dec 11, 2018
@BenjaSanchez BenjaSanchez mentioned this pull request May 22, 2019
@BenjaSanchez BenjaSanchez mentioned this pull request May 25, 2020
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2 participants