Existing pieces of software that could be integrated

Stortebecker commented 7 years ago

Here, I want you to post pieces of (open-source) software that could be integrated into Galaxy. To make a start:

MSeasy R Package - GC-MS preprocessing in R, integrates the NIST MS Search software (version 2.0+)
NIST MS PepSearch - Fiehn Lab: Free (open source?) commandline clone of NIST MS Search. Performs MS/MS batch scoring with a slightly different algorithm than NIST MS Search.
PyNISTPL - Edwards Lab: "interfaces to the NIST MS Search Engine libraries to provide easy to use command-line searching and construction of peptide spectrum libraries"

Stortebecker commented 7 years ago

NIST MS Search seems to have an API as well, thus it could be integrated. It is not open source, but many people seem to work with it.

Stortebecker commented 7 years ago

Stortebecker / metabolomics