Convert the script on the RECETOX/library-processing repo to a Galaxy tool which comes without any additional dependencies.
The script also does not have any other dependencies.
Lets place the tool in a new folder called misc.
The tool should be named use_theoretical_mz_annotations with a good description of what it actually does.
The tool should accept mgf and msp, since those should work out of the box and have a single parameter to control whether non annotated peaks should be contained in the output or not.
Convert the script on the RECETOX/library-processing repo to a Galaxy tool which comes without any additional dependencies. The script also does not have any other dependencies. Lets place the tool in a new folder called
misc.The tool should be named
use_theoretical_mz_annotationswith a good description of what it actually does.The tool should accept mgf and msp, since those should work out of the box and have a single parameter to control whether non annotated peaks should be contained in the output or not.