Ion type annotation - MS/MSMS spectrum is composed of peaks attributed to various ion types of precursor molecule (protein, plant metabolite, etc.). Identify and display ion types (Y, Y*, Y++, X, B, B*, B++, A, A*, A++, C*, neutral water or ammonia loss, ...) next to corresponding MS spectrum peaks. Such visual cue would help investigators in accepting or rejecting proposed precursor identification.
Post-translational modification - Modification such as phosphorylation may be a cue to involvement of the precursor molecule in subject cellular chemical pathway, and MS spectrum may contain peaks attributed to unmodified precursor ions and modified precursor ions. Identify and annotate unmodified and phosphorylated ion peaks.
Inverse Protein Folding and Data Mining
TODO: Currently working with Jonathan Gemmell to determine how we might apply data mining techniques to protein data in order to help better solve inverse protein folding problems.
TODOs
Get bugzilla instance configured to align better with the technologies that we are under development and support.