Dear OpenMS users,
we are proud to announce the release of OpenMS 2.5.0. Grab it
here
In the following you find all important changes to the previous version:
General:
- support for RNA mass spectrometry
- TMT16plex support for IsobaricAnalyzer (see PR #4295)
- improved MsStats/MsStatsTMT output support (see PR #4181, #4207)
- extended MaxQuant-compatible mzXML support (via FileConverter) (see PR #4432, #4423)
- QualityControl Workflow (all in the QC folder)
- OpenMS and pyOpenMS support for oligonucleotides
- OpenSWATH support for ion mobility extraction and scoring
- OpenSWATH support for metabolite assay library building through SIRIUS (and metabolite extraction and scoring)
- OpenSWATH support for PRM
- TOPPAS improvements (see PR #4100, #4121, #4266, #4497)
- fixes to PeptideIndexer for X!Tandem special cutting rules and ambiguous amino acids (see PR #4356)
- support for HDF5
- support for hyperfine isotopic distributions (through IsoSpec)
- JSON support (see PR #3786)
- speed improvements (loading/storing files, handling peptide sequences)
- support for VS2019 and GCC 9.1 (see PR #4211)
- support for outlier removal in IDPosteriorErrorProbability
- reduced memory footprint of FeatureFinderIdentification through batch processing
New Tools:
- Epifany — Runs a Bayesian protein inference (UTIL)
- FeatureFinderMetaboIdent — Detects features in MS1 data based on metabolite identifications (UTIL)
- GNPSExport — Tool to export consensus features into MGF format (TOPP)
- NucleicAcidSearchEngine — Annotate nucleic acid identifications to MS/MS spectra (UTIL)
- ProteomicsLFQ — A standard proteomics LFQ pipeline (TOPP) (experimental)
- QualityControl — Computes various QC metrics from many possible input files (only the consensusXML is required). The more optional files you provide, the more metrics you get (TOPP)
- RNAMassCalculator — Calculates masses and mass-to-charge ratios of RNA sequences (UTIL)
- MapAlignerTreeGuided — Aligns maps through hierarchical clustering based on distances computed between shared IDs.
Changed Tools:
- OpenPepXL and OpenPepXLLF runtime and memory efficiency improved by orders of magnitude
- IDFilter can now filter by using all MetaValues available in the ID files
- ImageCreator uses updated gradients and has gained RT and m/z filtering options (PR #4188)
Status changed:
- OpenPepXL (UTIL -> TOPP)
- OpenPepXLLF (UTIL -> TOPP)
- XFDR (UTIL -> TOPP)
Best regards,
The OpenMS developers