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jotech avatar jotech commented on June 20, 2024

hi @wtscott31

From your output, I would say that adding the pathway 14DICHLORBENZDEG-PWY should have worked, whereas for the pathways PWY-6083, PWY-6081, PWY-6090, PWY-6091 no candidate reaction could be found in the gapseq reactions. I suppose that the mapping from metacyc to gapseq reactions is missing here.
I will try to have a look later this week!

The error you got for 14DICHLORBENZDEG-PWY ( Error in !opt$sbml.no.output : invalid argument type) was already fixed by this commit 6fefcb5 and should be solved after updating to the latest gapseq version. Could you give it a try?

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wtscott31 avatar wtscott31 commented on June 20, 2024

@jotech Thanks for your reply! The error I got for 14DICHLORBENZDEG-PWY has been solved by using the latest version of gapseq. However, I still obtain the no model reactions found error for the pathways PWY-6083, PWY-6081, PWY-6090, PWY-609.

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wtscott31 avatar wtscott31 commented on June 20, 2024

Hi there @jotech,

Thanks for your quick response and guidance. I followed your advice and updated to the latest version of gapseq, and I'm happy to report that it did resolve the issue with adding the pathway 14DICHLORBENZDEG-PWY. Your support on this was spot on, and I appreciate it.

However, I'm still encountering an issue with the other pathways (PWY-6083, PWY-6081, PWY-6090, PWY-6091). Despite the successful update, I get the "Error: No model reactions found" message when trying to add these pathways. It seems like the candidate reactions for these pathways might not be mapped in gapseq as you mentioned.

I understand you're planning to look into this later in the week, and I just wanted to confirm these ongoing issues on my end. Any further insights or updates you could provide would be greatly appreciated.

Thanks again for your help and looking forward to any suggestions you might have.

Best regards,

@wtscott31

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wtscott31 avatar wtscott31 commented on June 20, 2024

@jotech I tried running the latest version of gapseq with the added dehalogenation reactions from 3 days ago. However, I still obtain the no model reactions found error. This is odd given that the "meta_rea_pwy-gapseq.tbl" contains all the specified reactions and pathways. Do you think I should just manually add them to the models? Also, if there is a new version of gapseq, can you list or specify the new version in the release? Thanks!

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jotech avatar jotech commented on June 20, 2024

hi @wtscott31
I'm sorry it took me some time, but there should be suitable candidate reactions for all the pathways by now!

What needs to be checked is if chlorobenzene degradation also works in final fba models. (for dehalogenation of PCE/TCE it's already working)
In addition, detecting the pathways by gapseq find might be difficult because of missing sequences. Do you have a candidate genome I could use for testing? I used Pseudomonas nitroreducens, and the pathways couldn't be detected.

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wtscott31 avatar wtscott31 commented on June 20, 2024

Hi @jotech,

Thank you for your message and for your assistance so far. I am still experiencing difficulties adding the reactions and pathways, and I don't believe I have a candidate genome at this time. When I attempt to run the command, I receive the following error:

`./gapseq adapt -a rxn04664,rxn04665,rxn07170 -m /UNLOCK/Dehalobacter_restrictus.RDS -c /UNLOCK/Dehalobacter_restrictus-rxnWeights.RDS -g /UNLOCK/Dehalobacter_restrictus-rxnXgenes.RDS -b /UNLOCK/Dehalobacter_restrictus-all-Reactions.tbl

Loading model files /UNLOCK/Dehalobacter_restrictus.RDS
id id.type db.rxn seed

1: rxn04664 seed rxn rxn04664
2: rxn04665 seed rxn rxn04665
3: rxn07170 seed rxn rxn07170
[1] "Reactions already in model: "
[1] "Reactions not in gapseq reaction database: rxn04664,rxn04665,rxn07170"
Error: No reactions can be added.
Execution halted
`
Your help is greatly appreciated.

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