Mass spectrometry software (massxpert2)

Model and simulate mass spec data

Science

Not tested on a device yet. What that means

Mass spectrometry software (massxpert2) in Breadstick

Breadstick runs Debian's own massxpert2 package for ARM64, the build a Debian 13 computer with an ARM processor installs, so Mass spectrometry software (massxpert2) should look and behave as it does on a Linux PC. On Samsung DeX, Floating mode opens it as its own window beside your Android apps, and Desktop mode runs it on a full Linux desktop.

Everything runs on the device's own processor, with no GPU compute, and instruments attached over USB are not visible to Linux apps. More about science apps in Breadstick.

About Mass spectrometry software (massxpert2)

From the project's description

massXpert2 is a program used to model polymer chemistries (like proteins or saccharides, for example) and use the models to simulat chemical reactions and mass spectral data obtained on the reaction products.

The process can be summarized thusly:

  • Define a brand new polymer chemistry (for example, protein, shipped with the package);
  • Edit a polymer sequence (in this example, a protein sequence);
  • Start performing chemical simulations, like protein digestion and gather all the mass data related to the obtained peptides;
  • Then select a peptide and perform a gas phase fragmentation; collect the mass data corresponding to all the fragments theoretically expected.

From the project's AppStream metadata in Debian's massxpert2 package, under CC-BY-SA-3.0. Copyright 2018 Filippo Rusconi.

Developer
Filippo Rusconi
Keywords
Biological chemistry, Mass spectrometry, Modelling, Polymer chemistry
Menu categories
Biology, Chemistry, Science

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