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Convert an MSP file representing one or more Mass Spectra to a NIST MS Search user library.

Project description

The NIST Library Conversion program running in Wine and Docker

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This is a Python script to facilitate conversion from MSP files to NIST MS Search user libraries.

Usage [input_file] [output_dir]

where input_file is the MSP file to be converted and output_dir is the directory to save the output library in. If output_dir is unspecified the current working directory is used instead.

Docker must be installed to use this program.

The first time this script is run it will download the latest version of the docker image automatically. This can also be done manually, such as to upgrade to the latest version, by running with the --get-docker-image flag.

For more usage information see the manpage or run with the --help flag.

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