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After updating RMG, I could not find any problem with other runs but only ONE run has given me following error (Note: I have 6 new jobs running with 3 PM3 ON and other 3 PM3 Off and pressure dependanc…
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So, gatherData in createMassBank.R has some major issues as of right now. I noticed this when playing around with the glucolesquerellin data in the GUI. By extension, the mbWorkflow is broken for cert…
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```
To ensure uptime and reliability, register all cts services into the zabbix
system and setup email authentification
```
Original issue reported on code.google.com by `berlinguyinca` on 4 Sep 201…
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.. in the structure submission bit, showing two or three accepted identifiers. For example, entering an InChIKey has no effect, nor do I get any feedback on whether it is wrong, not found, or somethin…
egonw updated
9 years ago
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```
What steps will reproduce the problem?
1. search for an Inchi key without synonyms:
JGUYJMIAKPTIAH-CPYUNXKESA-N
JFYYCQXZVIOBKU-UHFFFAOYSA-N
POXKBPUNCDMQMW-YLVJLNSGSA-N
DRSKVOAJKLUM…
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```
If subset names specified in subsetdef tags have underscores, they lose
everything after the underscore following OBO2OWL2OBO roundtrip. This seems to
come from rolling a URI using the subset n…
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```
http://cts.fiehnlab.ucdavis.edu/service/compound/QVBOTMGSBYXVJQ-LLVKDONJSA-O
yields
Error 500: Internal Server Error
URI /service/compound/QVBOTMGSBYXVJQ-LLVKDONJSA-O
Class java.lang.NullPo…
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Work towards making CTS optional, by calling obabel locally.
Add "queryCTS=TRUE" to mbWorkflow, and do local calls otherwise.
Also edit the CTS timeout error message to hint that "queryCTS=FALSE" mig…
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For example use molecules instead of metabolites.
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It seems that when a label is missing from the Compound Information API call (compare with https://github.com/openphacts/GLOBAL/issues/212), no other information is displayed on the compound informati…