massXpert mass spectrometry package
The massXpert software package is a mass spectrometry environment for linear (bio-)polymers. It inherits all the innovations of GNU polyxmass. It allows the detailed definition of new polymer chemistries in the XpertDef module. These chemistry definitions are then used in the desktop calculator-like mass calculator (XpertCalc) and in the sophisticated polymer sequence editor and (bio-)chemical/mass spectrometric simulations module (XpertEdit). Available simulations include polymer and monomer chemical modifications, polymer sequence cleavage, gas-phase fragmentation, m/z ratio calculations, and more.
| Tags | education Scientific/Engineering Chemistry Bioinformatics |
|---|---|
| Licenses | GPL |
| Operating Systems | Unix POSIX Linux Windows Windows Mac OS X |
| Implementation | C++ |
Recent releases
- 16 Apr 2009 11:36
Changes: 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.
- 31 Mar 2009 18:26
Changes: 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.
- 26 Mar 2009 16:08
Changes: A bug with sorting of fragmentation oligomers based on their name was fixed.
- 14 Mar 2009 19:56
No changes have been submitted for this release.
- 05 Feb 2009 18:31
Changes: 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.
