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Apply previous manual changes made to metabolic_reactions.tsv #1103

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merged 2 commits into from
Jul 1, 2021

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ggsun
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@ggsun ggsun commented Jun 30, 2021

This PR makes changes to the metabolism process such that all relevant manual changes that were previously made to the metabolic_reactions.tsv file (previously called reactions.tsv, see link for complete list) are applied to the new version of the file pulled from EcoCyc in a repeatable, robust way. For this purpose I added a metabolic_reactions_modified.tsv file that lists out the rows in metabolic_reactions.tsv that should be replaced, with an extra column to explain the intents of those changes. This PR also includes the addition of equilibrium complexes as possible catalysts of metabolic reactions, which was previously done manually by directly editing the reactions.tsv file.

All of these changes do not solve issue #1077 so further investigation would be needed to address this.

@ggsun ggsun force-pushed the apply-met-changes branch from b3d8670 to 823aa7c Compare June 30, 2021 23:41
@ggsun ggsun requested a review from tahorst July 1, 2021 00:59
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Looks good! I like all the different types of flat file modifications we can make now. Do you think there are any issues with compound classes being too general or too specific with the new EcoCyc flat files? Seems like most of these changes to metabolic reactions are compound class -> specific instance or specific instance -> compound class.

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ggsun commented Jul 1, 2021

Looks good! I like all the different types of flat file modifications we can make now. Do you think there are any issues with compound classes being too general or too specific with the new EcoCyc flat files? Seems like most of these changes to metabolic reactions are compound class -> specific instance or specific instance -> compound class.

Yeah, it looks like there isn't a clear rule on where they're using specific instances vs compound classes. Might be useful to ask for another file that lists out the hierarchy between all these individual instances and classes so we can more systematically handle this.

@ggsun ggsun merged commit 76953d2 into master Jul 1, 2021
@ggsun ggsun deleted the apply-met-changes branch July 1, 2021 22:10
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2 participants