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remove duplicates #346

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johan-gson opened this issue Jan 16, 2022 · 5 comments
Closed
3 tasks

remove duplicates #346

johan-gson opened this issue Jan 16, 2022 · 5 comments

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@johan-gson
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johan-gson commented Jan 16, 2022

Description of the issue:

These reactions are duplicates, they have the same GPR:
MAR04474: {'6-phospho-D-gluconate[c] + NADP+[c] => CO2[c] + NADPH[c] + ribulose-5-phosphate[c]' }
MAR08973: {'3 6-phospho-D-gluconate[c] + 3 NADP+[c] => 3 CO2[c] + 3 NADPH[c] + 3 ribulose-5-phosphate[c]'} (remove this one)

These reactions could be joined into a reversible rxn to avoid loops, they have the same GPRs:
'MAR08482': {'3-oxotetradecanoyl-[ACP][c] + H+[c] + NADPH[c] => HMA[c] + NADP+[c]'}
'MAR02358': {'HMA[c] + NADP+[c] => 3-oxotetradecanoyl-[ACP][c] + H+[c] + NADPH[c]'}
moved into #348

I hereby confirm that I have:

  • Tested my code on my own computer for running the model
  • Done this analysis in the main branch of the repository
  • Checked that a similar issue does not exist already
@mihai-sysbio
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NIcely spotted @johan-gson! How did you find these duplicates? Do you think the detection can be scripted?

@johan-gson
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Yeah, I found this doing some script, while working on speeding up tINIT. So, this can be scripted.

@mihai-sysbio
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@johan-gson I hope it's okay that I've edited the issue: the second pair of reactions didn't have the exact same GPRs, so I moved it into #348. This way we can resolve at least the straightforward part of this issue sooner.

@johan-gson
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Very okay, no worries :)

@JonathanRob
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Resolved with #365

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