Speaking of SIRIUS and CSI:FingerID are gathering interest in the community, the CSI:FingerID web service has processed more than ten million compound queries. Awesome!
Markus Fleischauer
SIRIUS 4.0.1 released
A new version of SIRIUS 4 is available for download.
SIRIUS 4.0.1 brings many bugfixes, user interface polishing and improved stability of the CSI:FingerID backend.
- SIRIUS 4.0.1 now supports JAVA 9 and higher
- The structures used to train CSI:FingerID are now available via the web service:
- https://www.csi-fingerid.uni-jena.de/webapi/trainingstructures.csv?predictor=pos
- https://www.csi-fingerid.uni-jena.de/webapi/trainingstructures.csv?predictor=neg
See our changelog for further details .
You can download SIRIUS with CSI:FingerID here.
CSI:FingerID passed 5 million compound queries
On July 8, 2018, the CSI:FingerID web service has passed five million compound queries. Awesome!
Meet us at ASMS 2018
Marcus is presenting ZODIAC on Monday at ASMS. This is our new method which enables comprehensive molecular formula identification on whole datasets.
The talk is “The whole is easier than the parts: Improving molecular formula identification using Gibbs sampling on fragmentation trees”.
SIRIUS 3 is not longer supported
We found a major bug in the web service of SIRIUS 3 which can also affect the stability of the new SIRIUS 4. Therefore we decided to shut down the web service of SIRIUS 3 immediately.
Please contact us () if you need to finish work that can only be done with SIRIUS 3. We will try to find a solution then.
Hello World: We are now on Twitter
All news of our group are now available on Twitter: @boeckerlab
Meet Kai and Marcus at Metabolomics 2017
Kai and Marcus will give talks at Metabolomics conference 2017 in Brisbane on Wed, June 28th.
Kai will talk about CANOPUS, the new tool for compound category prediction. Marcus will discuss ZODIAC, a method for comprehensive molecular formula identification on complete LC/MS runs with tandem mass spectra.
SIRIUS+CSI:FingerID 3.5 released
Our new version, Sirius 3.5, comes with several advancements. Download and use it here.
We have a new overview tab for CSI:FingerID hits which displays results of structure search for multiple molecular formulas.
You can examine the predicted fingerprint of each compound (and molecular formula) independently of any database.
We now offer the possibility to create and search in custom structure databases.
Besides, we have a new bayesian networks scoring function for CSI:FingerID which considers dependencies between different molecular properties.
This and much more.
SIRIUS+CSI:FingerID 3.4 build 4
Build 4 contains some more bug fixes!
SIRIUS+CSI:FingerID 3.4 build 2
Build 2 fixes a major bug when the included GLPK ILP solver is used to calculate fragmentation trees.
SIRIUS+CSI:FingerID 3.4 released
A new Sirius version is available. We included new features to enable a more intuitive workflow. We hope you’ll like it. Download and use it here.
We provide element prediction using isotope pattern. CSI:FingerID now predicts more molecular properties which improves structure identification.
Besides we fundamentally changed the structure of the result output generated by the command line tool to its final version. This means you might have to adjust your workflow.
Sirius release 3.4 is coming soon
During the next few days we will release Sirius 3.4
This will be a major release containing several changes on the command line interface.
You may have to adjust existing scripts to get them work with the finalized command line interface.
SIRIUS+CSI:FingerID for Mac OSX
SIRIUS+CSI:FingerID is no available for Mac. You can download it here. A few highlights of the new version:
- Searching your tandem mass spectra in molecular databases using CSI:FingerId
- Restrict the SIRIUS molecular formula identification to formulas appearing in molecular databases – or search through the whole space of possible formulas. It’s up to you.
- Sort you identification results by confidence such that more reliable identifications (e.g. from high quality spectra or easy recognizable compounds) are separated from bogus identifications.
- Predict structural features and substructures from tandem mass spectra and visualize them in your candidate structure list.
Don’t hesitate to give us your feedback, report bugs or suggesting new features. Just write to
Meet us at Metabolomics 2016
Kai, Franziska and Marcus are visiting the Metabolomics in Dublin from Monday, 27 June 2016 to Thursday, 30 June 2016.
Franziska is giving a talk on the Significance of metabolite identifications from searching mass spectral libraries.
Marcus will speak about our new Confidence score for CSI:FingerID identifications.
Kai will present the new SIRIUS 3.2 release.
Besucht unseren Workshop beim MINT-Schülerkongress
Wir sind dabei, beim MINT-Schülerkongress 2016 des Schülerforschungszentrums Nordhessen in Kassel.
Alle weiteren Infos findet ihr hier.
de.NBI Summer School 2016: From Big Data to Big Insights
Das German Network for Bioinformatics Infrastructure (de.NBI) läd ein zur de.NBI Summer School 2016 unter dem Motto “From Big Data to Big Insights: Computational methods for the analysis and interpretation of mass-spectrometric high-throughput data”
Interessenten können sich noch bis zum 1. Juni bewerben.
Wir sind dabei beim Girls‘ Day 2016 am 28. April!
Mehr Infos gibt es hier.
Meet Betram and Franziska in Bled
Bertram and Franziska are visiting the 31st TBI Winterseminar in Bled from Sunday, 14 Feb 2016 to Friday, 19 Feb 2016. Bertram is giving a talk on Transcriptomics in Cyanobacteria.
Bioinformatik Blog jetzt online
Ab sofort wird Franziska auf ihrem Blog wöchentlich über Forschungsfelder, aktuelle Publikationen und Karrieremöglichkeiten aus der Bioinformatik berichten.
Gastvorlesung Ivo Große
Ivo Große von der Universität Halle wird uns am 13. Januar besuchen und eine Gastvorlesung zum Thema Motif Finding und EM-Algorithmus halten – klassische Themen der Bioinformatik, die in Jena leider nicht mehr gelehrt werden.
Die Vorlesung findet am Mittwoch den 13. Januar von 9:30 bis 12:00 Uhr im Seminarraum 119, August-Bebel-Str. 4 statt.
Die Veranstaltung ist für alle Studierenden der Bioinformatik, insbesondere für alle Master-Studenten interessant. Alle Interessierten sind herzlich eingeladen.