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Open-Systems-Pharmacology / MoBi

MoBi® is a software tool for multiscale physiological modeling and simulation
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Choose molecular weight when reading observed data #825

Open AnnikaRPS opened 1 year ago

AnnikaRPS commented 1 year ago

When reading observed data in MoBi, although the mapping to a molecule works, the molecular weight of the Molecules building block is not used. Therefore, for plotting etc it is needed to enter the molecular weight manually (or as an extra column in the data). It would be great if the molecular weight is automatically taken from the building block. If there are several molecules with the same name in different Molecule building blocks, the user should be able to select which one to use.

StephanSchaller commented 1 year ago

The MW in the Data MetaData is used (mapped to the named molecule), so this should be specified when importing data

FYI @PavelBal