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EnzymeML / PyEnzyme

🧬 - Data management and modeling framework based on EnzymeML.
BSD 2-Clause "Simplified" License
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Can't read in excel template if no SMILES or InCHI code is given #50

Closed benjaminhadzovic closed 2 years ago

benjaminhadzovic commented 2 years ago

I have trouble reading the template with the code: enzmldoc = pe.EnzymeMLDocument.fromTemplate("Example.xlsx") when no InCHI or SMILES code is given. In the template documentation SMILES and InCHI should be a optional field.

Error: SpeciesNotFoundError: Pyruvate in Reactant -> Species ID has not been found

Here is the template: Example.xlsx

After adding a string to InCHI or SMILES column the template can be read in. For example this template can be read in: Example2.xlsx