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Contains non-GUI classes for the modelling of linear polymer chemistries. More...
The specifications that configure the way masses are calculated for Oligomers, Polymers and product ions | |
Model for specifying the acido-basic behaviour of a chemical group of either a Monomer object or of a Modif object | |
Prop instance of which the member data points to a dynamically allocated ChemicalGroup instance | |
Model for refining the acido-basic behaviour of a chemical group of either a Monomer object or of a Modif object | |
Model for specifying aqueous cleavage specifications (patterns) of Polymer Sequences | |
Derives from CleavageAgent to provide a model for specifying aqueous cleavage specifications (patterns) of Polymer Sequences along with instructions on the way the cleavage must occur | |
Model for specifying aqueous cleavage rules for refining cleavage agent specifications (CleavageAgent) of Polymer Sequences | |
Abstractions to work with a cross-link entity between Monomer instances | |
Abstractions to define the chemical basis of a cross-linking reaction | |
Sophisticated abstractions to work with formulas | |
Model for specifying gas phase fragmentation pathways of Oligomer Sequences | |
Model for specifying gas phase fragmentation rules for refining fragmentation pathway specifications (FragmentationPathway) of Oligomer Sequences | |
Collection of IndexRange instances that enable delimiting Sequence regions of interest in a given Polymer instance | |
Abstractions to ionize analytes | |
Container for masses (as double values) and for text representing thoses values | |
Abstractions to work with chemical modifications | |
Abstractions to work with monomers | |
Abstractions to work with a polymer molecule (protein or saccharide , for example) | |
Abstractions to work with a simple sequence of Monomers |
The libXpertMassCore module provides classes to model all the chemical entities required to fully characterize the behaviour of polymer chemistries both in solution and in the gas phase. It offers both high-level classes such as Polymer and low-level classes such as Isotope. Other classes define how polymers of a given polymer chemistry might be modified, either in solution or in the gas phase (cleavages or fragmentations).