Software
Performs rapid, robust, and universal deconvolution of mass spectra and ion mobility-mass spectra. Allows visualization of charge dimension and quantitative extraction of mass spectra.
Download at: http://unidec.chem.ox.ac.uk/
Paper link: Bayesian Deconvolution of Mass and Ion Mobility Spectra: From Binary Interactions to Polydisperse Ensembles
IMPACT is a computational tool for calculating collision cross-sections from structural models. It is designed for the high-throughput processing of large molecular structures and models (>10,000 atoms) without significant decrease in accuracy. It can accept input coordinate files for single structures (e.g. from X-ray crystallography), ensembles (e.g. from NMR), electron density maps (e.g. from electron microscopy), and coarse-grained models (e.g. from SAXS). IMPACT is 2 to 6 orders of magnitude faster than other algorithms, which have typically been designed for much smaller molecules, and can be invoked directly as a command-line tool in UNIX/Linux or Mac OSX, or used as a library linked with other software for molecular dynamics and integrated structural biology applications.
Download at: http://impact.chem.ox.ac.uk/
Paper Link: Collision Cross Sections for Structural Proteomics
PULSAR is software for analysing ion-mobility mass spectrometry data from both travelling-wave and drift-tube ion mobility mass spectrometers. It also provides a workflow for the modelling of gas-phase unfolding trajectories, and the tools to quantify and compute gas-phase stabilisation of proteins.
Download at: http://pulsar.chem.ox.ac.uk/
Paper link: Quantifying the stabilizing effects of protein–ligand interactions in the gas phase
NaViA is an easy to use online tool for the analysis of native mass spectra. It allows the assignment of native mass spectra as well as sharing of assigned mass spectra including analysis of stoichiometry and comments.
NaViA is available at https://navia.ms and the source code can be accessed at https://github.com/d-que/navia.
