Dear OpenMS-Users,

we are proud to announce the release of OpenMS 2.7.0. Grab it
here

In the following you find all important changes to the previous version:

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General:
– OpenMS now expects a compiler that supports C17
– Config storage path on linux changed to ~/.config/
– Some documentation improvements to pyOpenMS https://pyopenms.readthedocs.io/en/latest/

Adapters/Third-party support:
– Added support for SIRIUS 4.9.0
– Added basic Triqler export
– Improved NOVOR support
– Improved MSFragger support
– Removed Inspect support
– Easier 15N-labeling support for XTandemAdapter by shipping the required AA mass modification file (#5026)

What’s new:
– Add some support for integrating spectral information when conducting DDA metabolomics experiments
– SimpleSearchEngine and algorithm: Additional spectrum features for percolator added
– FeatureFinderMetaboIdent: Targeted feature extraction is now also available from pyOpenMS
– AssayGeneratorMetabo: Added SIRIUS 4.9.0 support, allowing internal decoy generation and added internal feature linking support
– QCCalculator: export in mzQC file format is now available

New Tools:
– OpenMSDatabasesInfo — Prints the content of OpenMS’ enzyme and modification databases to TSV (UTIL)
– TriqlerConverter — Converter to input for Triqler (UTIL)

Removed Tools:
– FeatureFinderSuperHirn — Finds mass spectrometric features in mass spectra (TOPP)
– InspectAdapter — Annotates MS/MS spectra using Inspect (TOPP)

Further fixes:
– Support for GLPK 5.x (#5127)
– IPF (identification of peptidoforms): add a check for terminal residue modification when generating theoretical peptidoforms
– Reduced build times on Windows
– Reduced AddressSanitizer warnings

File formats:
– Exporter for MSP files
– Improved support for reading NIST MSP files

Dependencies:
– Promoted SeqAn v1 to C17. Moved Seqan from contrib to main source tree (as it is not officially maintained anymore).

Library:
– Removed Elements.xml and Residues.xml. Hard-coded elements and residues for better performance/startup times.
– Moved algorithm of FeatureFinderMetaboIdent into library
– Added support for isotopic labelling experiments (MDV)
– Removed SuperHirn library

GUI tools:
– TOPPView: Various bug fixes
– TOPPView: Dynamic detection of tools in TOPPView upon startup
– TOPPView: Improved DIA data browsing
– TOPPAS: add a `recent files` submenu
– ParamEditor: with more convenient StringList editing
– SwathWizard: Allow opening in TOPPView

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Best regards,
The OpenMS-Developers