libxpertmass1
C++ mass spectrometry libraries (non-GUI runtime files)
Description
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 runtime files for the libXpertMass library.Upload more screenshots
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Homepage
http://www.msxpertsuite.org/libxpertmass/
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