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: 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 Single Sign On (SSO) authentication using your WeNMR account. Old style CS ROSETTA3 web server accounts are still supported. How to proceed:

  1. Become a member of the WeNMR Virtual Research Community at www.wenmr.eu
  2. Once logged in, go to the "My Services" tab in your account profile and subscribe to the CS ROSETTA3 web portal. Follow the instructions on screen. CS ROSETTA3 requires a valid X509 Grid certificate as explained below
  3. You have to be in possession of a valid X509 personal certificate that proves you are allowed to run calculations on the GRID and a membership of the eNMR Virtual Organization. If you do not yet have one you can find information on how to obtain a certificate here
  4. Once you are a member of the WeNMR VRC it is easy to subscribe to the many services WeNMR has to offer.
Setup your CS-Rosetta run
Give your run a name
What type of file do you submit?
Chemical Shift list
Number of models to generate

Please exclude flexible parts manually.

help

Setup your rescoring method(s)
Chemical Shift Rescoring

Username and password
Username
Password
Example of CS ROSETTA webserver output
CS-ROSETTA webserver statistics
Server statistics generated on: 2017-09-20 20:19:55
Total number of active requests: 0
Number of requests running on the GRID: 0
Number of requests pending for GRID submission: 0
Total number of successfully served requests as of June 1st 2013: 226
Number of registered users: 228
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/West-Life Grid resources please please add the following acknowledgement:
    "The FP7 WeNMR (project# 261572) and H2020 West-Life (project# 675858) European e-Infrastructure projects are acknowledged for the use of their web portals, which make use of the EGI infrastructure and the DIRAC4EGI service with the dedicated support of CESNET-MetaCloud, INFN-PADOVA, NCG-INGRID-PT, RAL-LCG2, TW-NCHC, IFCA-LCG2, SURFsara and NIKHEF, and the additional support of the national GRID Initiatives of Belgium, France, Italy, Germany, the Netherlands, Poland, Portugal, Spain, UK, South Africa, Malaysia, Taiwan and the US Open Science Grid."