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- added Bacillosamine
- update zoom in charts when isotope curves are added
- merge isotope curves of neighbour peaks
- noise filtering of spectra
* 4095 22/10/2008
- fixed ascii spectrum import
- update modes (keep report, keep peaklist, merge)
* 4092 21/10/2008
- update annotations
* 4086 20/10/2008
- highlight annotations
- change colors in annotation report
* 4080 17/10/2008
- choose m/z range for centroiding
- isotopes distribution for FT instruments
- isotope curves in peaklist chart panel
- deconvolute structures for core/monosaccharide/disaccharide/terminals in profile comparison
* 3572 15/10/2008
- peak picking options
- compute centroids with OpenMS library
* 3566 10/10/2008
- deisotope annotated peak list
- removed masses from configuration files
* 3560 8/10/2008
- compute average isotope curve for multiple molecules
- compute residue masses from composition (higher accuracy)
- put special residue types in dictionary
- fixed fragment computation
* 3553 7/10/2008
- baseline correction
- compute isotopic distribution for annotations
- fixed all shortcuts
- compute glycan atomic composition
- compute isotopic distribution for a molecule
- remove empty peak from annotated peak list on delete in annotation panels
----------- 1.1.3480 release 12/9/2008 --------------------
* 3480 12/9/2008
- fragments with labiles in fragment editor
- fixed issues with residue properties toolbar
* 3460 11/9/2008
- fixed custom graphic options
- changed MolecularFramework version
- set default buttons in dialogs
- added close dialog on escape
* 3423 3/9/2008
- added GAG plugin
- added executable, splashscreen and icon in windows (using launch4j)
...
- fixed export of greek fonts to SVG (text as shapes)
- search database by structure
- reorganization of the builder, all actions and graphic objects in the canvas
* 3411 6/8/2008
- residue properties toolbar
* 3409 4/8/2008
- profile comparison distributions chart report
- profile comparison error bars chart report
- profile comparison bar chart report
- profile comparison table report
- output structures in spreadsheets as compositions
- get structure composition
- added peak list chart panel
----------- 1.0.3353 release 21/7/2008 --------------------
* 3353 21/7/2008
- compute derivatized mass in profiler panels
- fixed eps export for small structures
- show max annotation axis
- reduce memory requirements for glycan objects
- use memory mapped files to store peak data
* 3267 26/6/2008
- read/write XML with SAX
- unified document panels
* 3247 18/6/2008
- database browser
- unified table panels
- show redend canvas
----------- 1.0.3011 release 12/5/2008 --------------------
* 3056 29/4/2008
- added 4dPen, 4dPenN, Ko, PPEtn, PEtn
- profiling with other reducing ends
- deoxygenation in the reducing end
- support for MGF files
- store fragments in the workspace
- store options in the annotation report document
* 2983 16/4/2008
- store annotation reports in the workspace add/open/delete
- change anomeric carbon if open ring in residue properties dialog
- save spectra in the workspace
- zoom in the fragment editor
* 2865 5/4/2008
- fragment summary panel (print/cut/copy)
- print notes text
- load/save notes
- add notes to a scan object
* 2837 31/3/2008
- no crossing lines in the report with automatic placement
- fixed scrolling
- fixed add selection
- run glyco-peakfinder from spectra and peaklist panel
- create other residues in composition
* 2819 26/3/2008
- allow internal ring fragments
* 2815 20/3/2008
- order structures in canvas by m/z
- custom annotation report options
* 2809 19/3/2008
- manual add composition
* 2807 17/3/2008
- load/save annotation report
- take a screenshot of the report canvas
* 2804 14/3/2008
- rotation of composition text
- rotation of structure text
- added ddHex, dHexA, NeuGcLac, NeuAcLac, PC, Pyr
- fixed masses
* 2796 7/3/2008
- fixed glyco-peakfinder find fragments
- fixed save annotations from search panel
- show report with empty annotations
* 2784 7/3/2008
- generic name for custom reducing end
* 2771 19/2/2008
- add/edit/remove structures from user db
- fixed positions after ungroup
- reset structure placements
* 2767 15/2/2008
- multiple user databases
- fixed mass options when no structures are selected
- font size for composition
* 2763 12/2/2008
- added show raw spectrum option in annotation report
- fixed report intensities when different from peaklist
- fixed printing FragmentEditor
* 2757 11/2/2008
- fixed eps problem with orientation
- pass last M/Z value to all dialogs
- fixed eps problem with clearRect, fix eps problem with resolution
- fixed svg problem with size over 400
* 2751 6/2/2008
- fix place multiple antennae
- show report with relative intensities
* 2740 4/2/2008
- show only selected rows
- filter by structure
* 2729 1/2/2008
- copy/paste annotations
* 2722 31/1/2008
- annotation report
* 2720 31/1/2008
- display composition as a glycan structure
* 2716 30/1/2008
- fixed antennae with multiplicity
- fixed orientation of children in a clockwise manner
- new version of the MolecularFramework
* 2695 28/1/2008
- search in structure databases
- store in custom structure database
- fixes to i/o glyco-ct
* 2386 14/11/2007
- integration with GP completed, added fragments
* 2358 13/11/2007
- integration with glycopeakfinder
- add structure from string generalized
- import/export with molecularframework parsers
* 2053 27/9/2007
- selection of the end point of the repetition
- import/export glyco-ct
- input min and max repetitions
- create a repeating unit
- copy of structures with repetitions
- remove of residues from structures with repetitions
- positioning of lateral nodes
* 2047 18/9/2007
- custom reducing end
* 2036 13/9/2007
- editing of annotations, update/delete single rows from tables
- asyncronous update of the annotation panels
* 2031 12/9/2007
- put the reducing end option in the MassOptions dialog
- manual positioning of border residue
- open ascii spectra files
- change residue type
- fixed gag templates
* 1794 15/7/2007
- editing functions
- rendering
* 1624 5/6/2007
- support of multiple bonds and multiple linkage positions
----------- 0.6.1622 release --------------------
* 1611 25/5/2007
- plugins can add button on toolbar
* 1588 23/5/2007
- import/export of fuzzy structures to Glyco-CT
* 1577 22/5/2007
- put structures in the scan
- connected the canvas to the structures in the scan
- put spectra in the scan
* 1576 21/5/2007
- added candidates plugin/panel
- added candidates structures to scan
- glycomind parser
* 1555 16/5/2007
- multiple root scans in the workspace
- manage selection in fragment editor
- copy fragments from the editor to the canvas
* 1545 15/5/2007
- fixed bug in automatic positioning
* 1456 20/4/2007
- removed static references in style dictionaries
* 1440 19/4/2007
- fixed relative intensities
* 1307 17/4/2007
- import glyco-ct markers
- import glyco-ct substituents
* 1279 16/4/2007
- import glyco-ct
* 1050 22/3/2007
- applet export to glyco-ct
- remove javascript listeners from applet
- export of o-linked glycans and uncertain residues
- removed undo/redo workspace
* 1033 21/3/2007
- fixed undo/redo of all documents
- put undomanager in the document
- limit number of states in on undomanager
- undo/redo workspace
* 1032 20/3/2007
- compute charges and exchanges in fragment panel
* 1025 16/3/2007
- save project
* 1024 15/3/2007
- add/remove/select scan
- show peaklist and annotated peaklist on doubleclick
- update peaklist and annotated peaklist in tool panels when scan is changed
* 1014 14/3/2007
- multiple level peaklist
- workspace panel
* 1000 13/3/2007
- user settings for graphic options
- recent residue history stored in configuration
* 991 12/3/2007
- init and exit in Plugin (retrieve and store options in Configuration)
- annotate with mass options derived from parent
- set exchanges for a structure
* 983 10/3/2007
- put mass options in the structure
* 975 08/3/2007
- display of antennae with multiplicity
* 965 07/3/2007
- specify the maximum amount of exchanges
- specify mass options for a single structure
* 954 06/3/2007
- fixes to Ion cloud
* 939 27/2/2007
- export to glycoct
* 907 20/2/2007
- specify multiple charges in mass options
* 783 29/1/2007
- fixed small ring fragments
* 769 26/1/2007
- open/save annotated peak list in internal format
* 754 24/1/2007
- small ring fragments with charges
- fix computation of charges in negative mode
- copy of fragments from summary view
- progress monitor and annotation abort
----------- 0.5.748 release --------------------
* 748 23/1/2007
- reworked options dialogs
- fixed exporting with mass and no redend
- max no charges set to 10
- cleavage of labile substituents in the fragment editor
* 715 8/1/2007
- multiple cross ring fragments
- added modifications: deoxygenation, saturation
- fixed mass options in fragment editor
* 690 17/12/2006
- fixed mass of structure with labile residues
* 689 16/12/2006
- fragmentation with labile residues
* 686 15/12/2006
- search for plugins at run-time
- transformed tools into plugins
* 670 12/12/2006
- fixed place antennae
- annotation options dialog
- annotation multiple ions/charges in parallel (neutral ion exchange)
- optimization of the options and options dialog
* 668 11/12/2006
- ion cloud
- added gags templates
- fixed rectangle selection bug
- removed default sticky for lateral nodes
- negative ion mode
- output of mz values as string when copy to Excel
* 662 10/12/2006
- solved problem of -45 and 45
* 659 09/12/2006
- find a fragment from a given m/z value
- cut/delete in fragment panel
- copy table rows in excel
* 655 08/12/2006
- major improvement in the visualization, fixed problems with UOXF notation
* 643 06/12/2006
- Support for masslynx files
----------- 0.4.642 release --------------------
* 642 01/12/2006
- calibration panel in PPM
- calibration panel free zooming
- compact view
- autosave options on exit
* 627 29/11/2006
- cfg with link placement
* 588 24/11/2006
- create image in headless environment
- log utils in headless environment
- fixed bug on string encoding of ring fragments
* 574 22/11/2006
- export in svg with ids for residues and linkages
- rearrangement of tool panes
- updated ring fragments list
* 571 21/11/2006
- resize columns in fragment canvas with viewport
- double click in canvas open in fragment editor
- open a generic file testing all the possible formats recognized by GWB
* 566 20/11/2006
- fixed last row in peaklist
- fixed popup trigger
- text in fragment editor with styled text renderer
- push buttons
- buttons with images
* 546 17/11/2006
- cleavage of substituents
- fragment editor
- improved checking for ring fragments
* 539 14/11/2006
- multiple charges
- fixed mass of derivatized marked structures
* 503 8/11/2006
- show/hide reducing end when exporting
- cut/delete of single annotations
- don't show linkage on border if show_info is deselected
----------- 0.4 release --------------------
* 446 30/10/2006
- import from linucs
* 378 24/10/2006
- support of Bruker spectra files
* 377 19/10/2006
- debugs
- printing of structure with table in panels
* 376 18/10/2006
- added support for T2D files
* 375 17/10/2006
- user placement with preferred position
* 374 12/10/2006
- fixed zooming calibration panel
- command line parameters
* 372 9/10/2006
- manual zooming, moving and popup for calibration panel
- fixed zooming for spectra panel
- enforce selection of structure
* 368 5/10/2006
- automatic zooming spectra
- peak picking
- calibration panel
- show accuracies versus mz
- spectra viewer
- open mzXML
- show spectra
* 362 3/10/2006
- fixed space problem in getRootDir
- creation of the applet
- integration with javascript
* 357 2/10/2006
- preparation for the applet
- removed static calls to renderers
- removed static calls to GlycoWorkbench
* 351 29/9/2006
- show accuracy in PPM
- show RMSD of annotations
* 344 14/9/2006
- clear annotated peak list
- remove structures from annotated peak list
- annotated peak list listeners in annotation panels
* 333 13/9/2006
- workspace
* 331 12/9/2006
- structure caret
- open into
----------- 0.3 release --------------------
* 326 PUBLIC 11/9/2006