[ Bron: libxpertmass ]
Pakket: libxpertmass-doc (1.3.0-1)
Verwijzigingen voor libxpertmass-doc
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Het bronpakket libxpertmass downloaden:
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Externe bronnen:
- Homepage [www.msxpertsuite.org]
Vergelijkbare pakketten:
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.