Balík: libxpertmass-doc (1.1.0-1)

[ Zdroj: libxpertmass  ]

C++ mass spectrometry libraries (documentation files)

The libXpertMass 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/massXpert2;
 * msXpertSuite/mineXpert2.

libXpertMass 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 mineXpert2.

This package ships the developer documentation for the two libraries.

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