cdanielmachado / carveme

CarveMe: genome-scale metabolic model reconstruction
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incompatibility with BIGG formula #188

Open Shlomit840 opened 1 year ago

Shlomit840 commented 1 year ago

There are many issues with the compound formula. for example, in tnt (2 4 6 Trinitrotoluene), the formula should be C7H5N3O6, like in BIGG, but in Carveme it is ambiguous - NO2 .
3h4atb compound formula in Carveme is HO, and in BIGG is C6H9O4S.

there are many other incompatibilities between BIGG and Carveme. Some of them are in H number in acids.