opencobra / memote

memote – the genome-scale metabolic model test suite
https://memote.readthedocs.io/
Apache License 2.0
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testing energy generating cycles reports an error if cofactor is not in the model #220

Closed cdanielmachado closed 6 years ago

cdanielmachado commented 6 years ago

I am getting errors for testing production "mql6" and "mql7" because they are not in the model.

According to the paper of Xavier et al [1], these cofactors are not universal. Therefore, this should not be an error. If they are not in the model then maybe the model is just fine.

[1] http://www.sciencedirect.com/science/article/pii/S1096717616302415

ChristianLieven commented 6 years ago

Yup, Moritz and I discussed this already. We've implemented the method from [1], which I extended by the menaquinols I found on BiGG. You make a good point that we could look for universal cofactors instead, we could also make these run only if the cofactors can be identified in the model and skip those that we cannot identify. I think we should do both :D Extend our range of tests and skip if the cofactors are unavailable.

[1] Fritzemeier, C. J., Hartleb, D., Szappanos, B., Papp, B., & Lercher, M. J. (2017). Erroneous energy-generating cycles in published genome scale metabolic networks: Identification and removal. PLoS Computational Biology, 13(4), 1–14. http://doi.org/10.1371/journal.pcbi.1005494

cdanielmachado commented 6 years ago

I would just test the balance of the cofactors that are present in the model, and do not make any assumptions of which ones "should" be there.

Midnighter commented 6 years ago

This is now resolved by using MetaNetX IDs and skipping co-factors not in the model.