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[ 源代码： libxpertmass ]
软件包：libxpertmass-doc（1.1.0-1）
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- 主页 [www.msxpertsuite.org]
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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.