Balík: libxpertmass-doc (1.3.0-1)

C++ mass spectrometry libraries (documentation files)

The libXpertMassCore and the libXpertMassGui shared libraries are designed to enshrine the non-GUI and the GUI functionalities needed by the following two mass spectrometry projects:

 * MsXpertSuite/MassXpert3;
 * MsXpertSuite/MineXpert3

libXpertMassCore contains abstractions for all the chemical entities required to fully characterize a polymer chemistry definition, as shown below:

 * Isotope
 * IsotopicData
 * Formula
 * Monomer
 * Oligomer
 * Polymer
 * Modif
 * CrossLinker
 * CrossLink
 * Aqueous chemical reactions (cleavages, enzymatic and non-enzymatic)
 * Gas-phase chemical reactions (fragmentations, with a sophisticated
   grammar to describe complex fragmentation patterns)
 * Isotopic cluster modelling/calculations for any chemical entity
   representable by an element composition formula and a charge.

libXpertMassGui contains classes useful:

 * to display and manage isotopic data,
 * to configure isotopic cluster calculations,
 * to configure mass peak shaping processes (GAUSSIAN and LORENTZIAN),
 * to configure network communications between massXpert2 and MineXpert3,
 * write JavaScript (ECMAscript) code to automate a large number of
   functions.

This package ships the developer documentation for the two libraries.

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