On July 8, 2018, the CSI:FingerID web service has passed five million compound queries. Awesome!
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 ( ed.an1532215214ej-in1532215214u@sui1532215214ris1532215214) if you need to finish work that can only be done with SIRIUS 3. We will try to find a solution then.
All news of our group are now available on Twitter: @boeckerlab
Build 4 contains some more bug fixes!
Build 2 fixes a major bug when the included GLPK ILP solver is used to calculate fragmentation trees.
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.
- 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 ed.an1532215214ej-in1532215214u.vre1532215214stsil1532215214@leve1532215214d-sui1532215214ris1532215214
Version 0.7 of SIRIUS is shipped with completely new starburst functionality for de-novo identification of molecular formulas using Tandem MS data. SIRIUS downloads are available here.
We released the new version of EPoS,our modular software framework for phylogenetic analysis and visualization. Downloads are available here.