Abstract
The WeNMR (http://www.wenmr.eu) project is an EU-funded
international effort to streamline and automate structure
determination from Nuclear Magnetic Resonance (NMR) data.
Conventionally calculation of structure requires the use of various
softwares, considerable user expertise and ample computational
resources. To facilitate the use of NMR spectroscopy in life sciences
the eNMR/WeNMR consortium has set out to provide protocolized
services through easy-to-use web interfaces, while still retaining
sufficient flexibility to handle more specific requests. Thus far, a
number of programs often used in Structural Biology have been
made available through portals, including HADDOCK, XPLOR-NIH,
CYANA and CS-ROSETTA, MARS, MDDNMR. The implementation
of these services, in particular the distribution of calculations to the
Grid, involves a novel mechanism for submission and handling of
jobs that is independent of the type of job being run. With over 280
registered users (April 2011), eNMR/WeNMR is currently one of the
largest Virtual Organization (VO) in life sciences. With its large and
worldwide user community, WeNMR has become the first Virtual
Research Community officially recognized by the European Grid
Infrastructure (EGI)
| Original language | English |
|---|---|
| Title of host publication | IWSG-Life 2011 |
| Subtitle of host publication | Science Gateways for Life Sciences 2011 |
| Editors | Gabor Terstyanszky, Tamas Kiss |
| Publisher | CEUR WS |
| Publication status | Published - 8 Jun 2011 |