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GlycoWorkbench?

ExampleDataSets

VersionChanges

Version 1.1

Build 3480 - 22/09/2008

GAG profiling tool
in-silico fragmentation of sulfated glycans
graphic display of the peak list, similar to the spectra panel
residue properties toolbar
copy tables in spreadsheets with structures as compositions
search databases by sub-structure
close dialogs by pressing Escape
select OK in dialogs by pressing Enter
added executable, icons and splashscreen for Windows users
fixed export to SVG

Version 1.0

Build 3353 - 21/07/2008

Store spectra in the workspace file
Browse structures in the included databases
Fixed memory overflow with big spectra files
Fixed graphical export of annotation reports

Build 3110 - 12/05/2008

Create, edit and store graphical reports of the annotated mass spectrum
Run composition analysis with Glyco-Peakfinder
Search for structures into databases (CFG, Carbbank, Glycosciences)
Create personalized structure databases
Annotate MS peak lists with compositions or complete structures
Create structures with repeating units
Support user specified reducing end types
Manage multiple user defined structure databases
Import from Carbbank, Glyco-CT; export to Glyde II
Open ascii spectra files
Add notes and comments to the workspace
Copy/Paste/Delete annotations
Support multiple bonds and multiple linkage positions
Enlarged set of residues, substitutions and markers
Compute internal ring fragments
Support for MGF peak lists
Bug fixes

Version 0.6

Build 1622 - 19/06/2007

Workspace management: handle multiple candidate sets, peaklists and annotations
Workspace panel: handle multiple MS/MS levels and all relative documents
Save/open annotated peak list
Import/export to Glyco-CT
Import from Glycomind
Activate undo/redo for all documents
Annotation options dialog manage maximum number of exchanges
Annotate with charges and exchanges derived from parent ion
Specify multiple charges and neutral exchanges in mass options dialog
Specify mass options separately for each structure
Compute charges and exchanges in fragment panel
Manage selection and copy fragments in fragment editor
Copy fragments from summary view
User settings for graphic options
Display of antennae with multiplicity
Progress monitor during annotation
Recent residue toolbar maintained after closing
Bug fixes

Version 0.5

Build 748 - 23/01/2007

Major improvement in the visualization, gives more compact structures and fix display of UOXF notation
Annotation of peaks with multiple ion types
Negative ion mode with multiple ion types
Computation of multiple cross-ring fragments
Find a fragment from a given m/z value
Copy rows of table panels in Excel
Cut/delete in fragment list panel
Creation of the Plugin API, trasformation of tools in plugins, search for plugins at run-time
Added modification (deoxygenation, saturation) to the list of components
Added templates for GAGs
Rework of options dialogs

Version 0.4

Build 642 - 7/12/2006

visual editor of fragments
manual revision of annotated peak list
computation of m/z values with multiple charges
cleavage of substituents
enlarged list of ring fragments (all the residues are now supported)
calibration panel in PPM
reorganization of tool panels
autosave options
CFG notation with automatic placement regarding of linkage
display of structure in compact version
export image without reducing end marker
fixed mass of derivatized labeled structures
bug fixes

Build 462 - 2/11/2006

spectra viewer (support for ABI, Bruker, mzXML and mzData spectra files)
calibration panel
manual placement of residues in the editor
import from LINUCS files
command line invocation
editing of annotated peak list
annotation accuracy in PPM
bug fixes

Version 0.3

Build 326 - 11/9/2006

First public version

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