release 1.1.170

15.12.2015

Changes:

• Support of siderophores and polyketides improved.
• Feature added - summary table of matched peaks.
• Feature added - cancel buttons have been added into some progress dialogs.
• Bug fix - program crashed from time to time when combinations of building blocks were generated.
• Bug fix - detection of branch-cyclic NRPs using series D) and H) fixed.

release 1.0.1512

21.9.2015

Changes:

• Peaks in a spectrum detail window are now reported in a table.
• The table of peaks can be exported into a csv file.
• Columns containing real numbers are now sorted correctly.
• HTML export was improved.
• Peaklist from multiple scans can now be processed in MS mode.
• Support of identification of NRP siderophores added.
• Support of linear and cyclic polyketide siderophores added.
• Support of common biometals added (MS and MS/MS mode).
• Some keyboard shortcuts were added in the building blocks editor, sequence database editor, modifications editor, draw peptide tool, main window, settings dialog, and de novo graph window.
• Terminal modifications are now reported in spectra detail windows.
• Links to Norine and Smiles2Monomers added.
• A compatibility issue with CompassXPort was fixed.
• Some bugs were fixed and minor improvements were made.

release 1.0.1216

15.5.2015

Changes:

• Export of graphical visualization of spectra and peptides into SVG fixed for Windows.
• Feature added: show/hide isomers of building blocks in the output report.
• Bug fixed: HTML report was exported incorrectly when the order of rows was changed.
• Quit confirmation dialog added.
• Names of precursor ions of multiply charged ions and precursor ions with adducts fixed for MS/MS spectra.
• Peptide identification details in the main window can be also opened using Return/Enter key.
• Image export dialog improved in the spectrum detail window.
• Find text option added into the spectrum detail window.
• Similarity search can be performed when a peklist is searched against a database of MS/MS spectra.
• Monoisotopic masses of sequence candidates are now reported in the main window.
• Settings dialog was improved for monitors with small resolutions (scrollbars added).
• Export of PS images dropped in Linux (PDF files were generated instead of PS files; pdf2ps tool is now recommended to generate PS files).
• OS X is now supported.
• A text filter of rows was added into the main window, building blocks editor, sequence database editor and modifications editor.
• Save confirmation dialogs added into editors when closing editors.
• The internal periodic table has been extended.
• Some bugs and performance issues fixed.

release 1.0.1106

3.3.2015

Changes:

• Negatively charged ions are supported.
• c, x and z ions are supported.
• Precursor ion adducts are supported.
• Detection of scrambled peaks improved.
• Linux is now supported.
• Modifications editor added.
• A few building blocks were added which cannot eliminate H2O.
• Support of branched and branch-cyclic peptides improved.
• "Draw Peptide Tool" added.
• Keyboard shortcuts and toolbars added.
• Export of graphical visualization of spectra and peptides into PDF, PS, PNG and SVG (Linux only) added.
• Visualization of mass spectra improved.
• Some bugs and performance issues fixed.

release 1.0.850

19.11.2014

Changes:

• Database search added (for MS and MS/MS spectra).
• Databases of building blocks updated.
• Building blocks editor added.
• Sequence database editor added.
• A number of paths in a de novo graph forming sequence candidates is calculated before the search.
• The version of the application is checked when a results file (*.res) is opened.
• Number of matched scrambled fragment ions is reported when a cyclic peptide is searched.
• Small bugs fixed.

release 1.0.739

3.10.2014

Changes:

• Visualization of branch-cyclic peptides added.
• Visualization of branched peptides fixed.
• Visualization of mass spectra improved.
• Summary formulas of peptide sequence candidates added.

release 1.0.696

3.9.2014

Initial release.