- CS ROSETTA is a protocol which generates 3D models of proteins, using only the 13CA, 13CB, 13C', 15N, 1HA
and 1HN NMR chemical shifts as input. Based on these parameters, CS ROSETTA uses a SPARTA-based selection
procedure to select a set of fragments from a fragment-library (where the chemical shifts and the 3D structure of the
fragments are known). The fragments are assembled using the ROSETTA protocol. The generated models are rescored
based on the difference between the back-calculated chemical shifts of the generated models and the input chemical shifts. For more
information see our online web portal manual and tutorial and/or consult the CS-Rosetta home page at: https://spin.niddk.nih.gov/bax/software/CSROSETTA/index.html.
- Webserver user manual and tutorial
- CS ROSETTA3 webserver
- REGISTRATION: The use of the CS ROSETTA3 WeNMR GRID-enabled docking server is
free for academic users. Access to the server is managed through the
CSB User Portal.
Users with an old WeNMR account have been migrated to this portal but have to set a new password using the
Password Reset option.
- Example of CS ROSETTA webserver output
- CS-ROSETTA webserver statistics
- Server statistics generated on:
- Total number of active requests:
- Number of requests running on the GRID:
- Number of requests pending for GRID submission:
- Total number of successfully served requests as of June 1st 2013:
- Number of registered users:
- References for use of the WeNMR GRID-enabled server
- Wassenaar et al., WeNMR: Structural Biology on the Grid. J. Grid. Comp., 10, 743-767 (2012).
- van der Schot et al., Improving 3D structure prediction from chemical shift data. J. Biomol. NMR., 57, 27-35 (2013).
- And for the use of the WeNMR Grid resources please please add the following acknowledgement:
"The FP7 WeNMR (project# 261572), H2020 West-Life (project# 675858) and the EOSC-hub (project# 777536) European e-Infrastructure projects are acknowledged for the use of their web portals, which make use of the EGI infrastructure with the dedicated support of CESNET-MCC, INFN-PADOVA, NCG-INGRID-PT, TW-NCHC, SURFsara and NIKHEF, and the additional support of the national GRID Initiatives of Belgium, France, Italy, Germany, the Netherlands, Poland, Portugal, Spain, UK, Taiwan and the US Open Science Grid."