Release Notes: Two non-critical bugs were fixed. A polymer chemistry definition encompassing DNA and RNA as some polymer sequences using both ribo- and deoxyribo-nucleotides was added. Formulas throughout all the program now accept a title at their begininng in double-quotes and any number of spaces (for example, "acetylation" -H + COCH3). Each polymer chemistry-specific calculator window now has its own geometry settings.
Release Notes: A number of improvements were made in the XpertCalc module. The multi-character code disambiguation mechanism was fixed in the sequence editor's available codes tool box widget: it's triggered by hitting Ctrl-Enter. Fragmentation was improved with multiply-charged fragments: when there are multiply-charged fragments, the mass now takes into account the ionization rule that sits in the sequence editor windows's calculation engine configuration. A bug was fixed in the elemental composition code that would fail when an atom count is negative. Other numerous fixes were made.
Release Notes: This release fixes a bug that would make the program crash upon re-cleavage of a polymer sequence in the same cleavage dialog window.
Release Notes: The XpertCalc module was reworked to allow for grouping and coloring the buttons of the chemical pad, which is a huge user interaction improvement when lots of buttons are programmed, as in saccharide chemistry, for example. Bugs were fixed in XpertCalc. The user messages were fully translated in to French and the English was improved. The user manual was updated.
Release Notes: A bug caused by not taking the locale into account while exporting oligomer results as text was fixed along with small glitches with locale-specific input/output in the graphical user interface. Faithfulness of the textual representation of results exported as text was bettered. Sorting/filtering in the result tree views now reflects fully in the exported text. UseLATEX.cmake is now used for building the user manual.
Release Notes: This release fixes a bug with the file writing process (polymer chemistry definitions and polymer sequences) that would lead to unusable files. It fixes an XpertDef crash due to not checking if a modification is used by a cross-linker prior to removing it from the definition.
Release Notes: A bug with sorting of fragmentation oligomers based on their name was fixed.
Release Notes: This release fixes a bug that would provide inexact oligomers when cleaving with a specification involving left-cutting and right-cutting activities like "K/;/D", for example. It adds a feature to edit a polymer sequence by clicking onto monomers in the list of available monomers. Internal code cleanup.
Release Notes: Bugs were fixed and a feature improvement was made regarding cleaving a polymer sequence asking that masses be computed with no charge at all. There was a bug that would crash the program if another cleavage was performed after a cleavage that would provide no oligomers. This has been fixed.