Closed hechth closed 7 months ago
The available options will need to be updated to include the inchikey -> inchi conversion and formula-> mw conversions
The new version has some additional converters and the list of all possible conversions can be generated using this script: https://github.com/RECETOX/MSMetaEnhancer/blob/main/galaxy/generate_options.py
The available options will need to be updated to include the inchikey -> inchi conversion and formula-> mw conversions
The new version has some additional converters and the list of all possible conversions can be generated using this script: https://github.com/RECETOX/MSMetaEnhancer/blob/main/galaxy/generate_options.py