Galaxy tool wrapper for SIRIUS-CSI:FingerID.
Website (and CLI download): https://bio.informatik.uni-jena.de/software/sirius/
Source code: https://github.com/boecker-lab/sirius
v4.9.8+Galaxy4
Galaxy is an open, web-based platform for data intensive biomedical research. Whether on the free public server or your own instance, you can perform, reproduce, and share complete analyses.
The SIRIUS-CSI:FingerID CLI used for the Galaxy wrapper is available in Conda via the Bioconda channel.
- Jordi Capellades ([email protected]) - Universitat Rovira i Virgili (Tarragona, Spain)
- Tom Lawson ([email protected]) - University of Birmingham (UK)
- Simon Bray ([email protected]) - University of Freiburg (Germany)
- Ralf J. M. Weber ([email protected]) - University of Birmingham (UK)
- v4.9.8+Galaxy4:
- Troubleshooted web-api (problems)
- Remove confidence and rank filter
- Add all structures as output
- v4.9.8+Galaxy3:
- Version bump for toolshed installation
- v4.9.8+Galaxy2:
- Remove backwards compatibility option
- Check for N/A values for confidence filter
- v4.9.8+Galaxy1:
- Fix galaxy wrapper rank and confidence filter
- Put Galaxy "profile" as 19.05 rather than 21.01
- v4.9.8+Galaxy0:
- Update to work with v4.9.8 of SIRIUS-CSI:FingerID
- Output now includes summary of CANOPUS analysis
- v4.0.1+Galaxy4:
- Add adduct choice from tool or via MSP
- v4.0.1+Galaxy3:
- Add profile to XML to enforce correct conda build
- v4.0.1+Galaxy2:
- Change owner of repository to computational-metabolomics
- v4.0.1+Galaxy1:
- IUC updates
- v4.0.1+Galaxy0.2.6:
- More updates for check empty results
- v4.0.1+Galaxy0.2.5:
- Updated check for empty results
- v4.0.1+Galaxy0.2.4:
- Check for empty input file added
- Added Glucose unit-test
- v0.2.3:
- Removed quotes "" for values in output table
- v0.2.2:
- Bug Fix for skipping final MSP spectra if two empty lines not present
- v0.2.1:
- Fixed bug where ID was not being updated
- v0.2.0:
- Update to handle multiple types of MSP files
- Autohandling of adducts (if in MSP file)
- Update code structure to match the metfrag-galaxy tool
- Update to version 4.0.1 of SIRIUS-CSI:FingerID
Released under the GNU General Public License v3.0 (see LICENSE file)