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ModelSEED / ModelSEEDDatabase

This repository contains the definitive copy of the biochemistry and metadata used to construct models using the ModelSEED/ProbAnno approach
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Updating and checking formulas #108

Closed samseaver closed 6 years ago

samseaver commented 6 years ago

Due to its age this was branched from the original checking_formulas branch.

This is the beginning of the end of the work on disambiguation compounds based on their structures. I did a massive update from MetaCyc and updated the compound structures and formulas. The work required the use of the structures themselves to dictate the formulas, and because of incorrectly merged compounds and structures, requires manual disambiguation to finish it.

For this reason, "./Rebalance_Reactions.py" must be use with care moving forward.

The next step is to move back into the classifying_aliases branch, and re-organized them in preparation to help disambiguation.

samseaver commented 6 years ago

I'm merging this even though Travis fails. This was to be expected given the influx of updated compound formulas, but, as it follows, I'll go through these and try and figure out the problems vis disambiguation.