Preprocessing BRENDA data

[feiranl]

Hi,

The original GECKO pipeline relies on full substrate name matching, which will has some issues with ID mapping.
Since we are thinking of having SMILES in the model (search by PubChem API), if we can also preprocess BRENDA to store the substrates SMILEs in the file, then it would facilitate the matching process and the kcat searching step.

[edkerk]

Good idea, is this already gathered for DLKcat?

[feiranl]

Yes.

[edkerk]

Great, it would anyway be easiest if we just parse that file to also use it in DLKcat (#157).