Speclipse
From BioclipseWiki
| Name: | Speclipse |
| License: | EPL |
| Contact: | Stefan Kuhn |
| Bioclipse version: | 2.0 |
| Update Site: | http://www.ebi.ac.uk/steinbeck-srv/speclipse/net.bioclipse.speclipse-updatesite |
| Repository: | [[1]] |
| Wiki page last updated: | 2010-1-29 |
| Tags: |
chemistry |
Overview
The Speclipse Feature collects plugins for handling spectral data. It contains the following plugins:
- net.bioclipse.spectrum
- net.bioclipse.specmol
- net.bioclipse.nmrshiftdb
- net.bioclipse.bibtex
- net.bioclipse.webservices
- org.xmlpull.xpp3
An update site is available at EBI, which is maintained by the Steinbeck Group.
The plugins have Help pages and Cheat Sheets explaining their functions.
Maintenance
Development of the Speclipse feature is mainly done in plugins. If necessary, a new version of the feature is done.
Use Cases
- View Spectra (cml, jcamp, mzdata)
- Edit metadata
- Perform peak picking
- Create a specmol file and assign the spectrum
- Check the assignment using prediction
- Submit the specmol file to NMRShiftDB
-
- Predict a spectrum for a molecule and save it
- Search molecules for a spectrum (elucidation)
