-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Format: 1.8 Date: Mon, 05 Oct 2009 10:55:32 +0200 Source: massxpert Binary: massxpert massxpert-data massxpert-doc Architecture: source all i386 Version: 2.0.6.-1 Distribution: unstable Urgency: low Maintainer: The Debichem Group <debichem-devel@lists.alioth.debian.org> Changed-By: Filippo Rusconi <rusconi-debian@laposte.net> Description: massxpert - linear polymer mass spectrometry software massxpert-data - linear polymer mass spectrometry software - arch-indep data massxpert-doc - Linear polymer mass spectrometry software - manual Changes: massxpert (2.0.6.-1) unstable; urgency=low . * Upstream release: . - Fixes to nroff formatting of the man pages (thanks to Daniel Leidert for suggestions); . - XpertCalc: added possibility to insert formulas in the formula line edit by Ctrl-clicking buttons in the chemical keypad; . - XpertCalc: added possibility to surround formulas with spaces for much better readability in case of complex structures. This is performed by Shit-Ctrl-cliking on the chemical pad buttons; . - XpertCalc: automatically seed m/z calculation dialog window with masses from the XpertCalc main window; . - XpertEdit: bug fix in the sequence editor's feedback to the user upon entering a bad monomer code character. When a new valid character is entered this old error message is removed; . - XpertCalc: added lots of useful buttons to the dna chemical pad configuration file; . - Added bibliographical reference to the massXpert paper in _Bioinformatics_ to the man pages; . - XpertCalc: added possibility to store formula in a drop-down list so as to be able to recall them in ulterior calculations; . - XpertCalc: implemented new feature by which it is possible to set a title to a formula like the following : "initial-dimer" C5H6O9P3, which will be interpreted as formula "C5H6O9P3". . - Sequence editing plugins: added possibility to perform more sophisticated translation, like from codon to 1-letter code or from codon to 3-letters code (protein chemistry); . - XpertEdit: the tool box (available monomers/mass calculation engine configuration) now saves its position; . - Improved the CMake-based build system to automatically build the binary and the data if nothing is specified on the configuration command line (usermanual is not built by default; thanks to Pere Constans for reporting); . - Bunch of code tidying and memory leaks fixing (thanks to cppcheck, as suggested by Pere Constans); . - XpertEdit: fixed wrong behaviour in the whole/selected sequence logic in the mass search dialog window; . - XpertEdit: fixed the multi-character code disambiguation mechanism in the sequence editor's available codes tool box widget: it's triggered by hitting Ctrl-Enter; . - Xpertedit/XpertDef: improved feedback to the user on file save operation errors; . - XpertEdit/XpertDef: added possibility to show non-*.mxp/non-*.xml files in the openfile dialogs; . - XpertEdit: improved fragmentation 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. . - Added Doxygen configuration file. Docs generated outside of the source tree. . - XpertEdit: fix bug in elementalComposition() that would fail when count is negative. Added simplify() function that calls elementalComposition() in turn. Also fixed the way atomCount objects are added to the list of such objects : when an atomCount object reaches a 0-count, it gets removed from the list. . - XpertCalc: added possibility to simplify a complex set of formulas into a single factorized formula. 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