All releases of massXpert mass spectrometry package
Release Notes: This release adds the ability to select -H20 and -NH3 (and also to set a manually-defined formula) as additional decompositions to be handled while computing fragment oligomers.
Release Notes: When running the mz calculations dialog from the sequence editor window, the masses are now automatically set in the dialog window. Ion charge proton was added to the formula of the z fragmentation specification. The Formula's elementalComposition() was rewritten so that the order of the atoms is in the CHNO->alphabetic conventional order.
Release Notes: This release fixes a bug that crashed the program when the user would click (on the sequence editor) left of the first monomer vignette.
Release Notes: This release fixed a problem where the lightest isotope was always considered the most abundant isotope, which was often true in biological matter, but not always in other cases.
Release Notes: An alert was added that triggers itself when the user tries to cleave a polymer sequence region that does not encompass all the cross-linked monomers, as this would yield non faithful oligomers. A small GUI bug in the sequence editor was fixed. A linker flag in the build of massXpert for the PPC platform was fixed.
Release Notes: A feature was added to compute the mass difference between any two monomers. The GUI of the monomer definition dialog was modified so that masses of any monomer currently selected or upon modification of the formula are updated automatically. The user manual was updated to document the new feature.
Release Notes: A new feature was added that allows polymer sequence cleavages to only be performed on the selected region of the polymer sequence. The user manual has been updated to document the new feature. There are some bugfixes.
Release Notes: A new monomer dictionary framework that is used by the newly developed PDB text file protein sequence importer was started. A bug that would prevent saving the name of a polymer sequence file after modification was fixed. The French translation was updated. Small bugs were fixed.
Release Notes: This release fixes one bug within the formula validation code that could crash the program when an invalid formula is used. It shows the currently selected regions in the sequence editor window. It fixes some memory leaks and code cleanup.
Release Notes: A bug causing a crash when performing cleavages in rare situations was fixed.
