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APRIL 2017
The APRIL 2017 version of MassAI has been released.

Download here
CHANGES AND NEW FEATURES:
With more than thirty tool buttons, the window was growing too crowded.
I have now given it a tabbed layout with buttons sorted into sub-categories.

The buttons are larger now, with abbreviations replaced with proper descriptions

TOOL BUTTONS redesigned
CHANGES TO THE FILE MENU
You may wish do to a batch search of files that represent one or two differently labelled residue sets.
This could be N14, N15 - or a combination of both (or any other label.)

You can specify the residue set(s) involved in each file by selecting "A", "B", or "AB".

A combination of  N14 and N15 is useful when crosslinking complexes that comprise homodimeric proteins. In such a case, you would select "AB" and otherwise do a standard cross-link search.


When you work with hydrogen-deuterium exchange (HXMS), you can specify which files are deuterated and which are reference
at the file-selection stage.

CHANGES TO THE HYDROGEN-DEUTERIUM EXCHANGE FEATURES
The HDX search itself has been made simpler:

1: Select reference and deuterated datasets as described above,
2: Carry out a standard MassAI search
3: open the HDX lab and press "Analyse"


Each fragment ion in a HDX result is clearly annotated with description, mz and average isotopic distribution
in the side panel.
The "Label level per residue" window shows the sequence of the identified peptide,
and highlights the exact residues where labelling takes place.
The HDX fragment matrix displays the labelling values for each fragment ion, if an isotope series is present.
If any fragment ion does NOT have an isotope series, the deuteration level cannot be determined,
and is annotated here as "sing." (Singleton)