Extend-NMR: Extending NMR for Functional and Structural Genomics
TopSpin MDD PRODECOMP AUREMOL CCPN ARIA ISD HADDOCK CING Deposition
Partner 7:Bruker BioSpin GmbH, Karlsruhe, Germany
People involved:Bruno Guigas, Klaus-Peter Neidig, Peter-René Steiner et al.
Website:http://www.bruker.com

Bruker BioSpin: Industrial Partner

TopSpin™ is our software for acquiring, processing and analyzing NMR data in one convenient, streamlined package. Accompanying the Extend-NMR project, Bruker has continued its well- established communications and work with scientific partners in order to integrate upcoming technologies. As one result of teaming up with the CCPN group in Cambridge, TopSpin™ has learned how to interface the CCPN data model. Customers can export nD data sets to CCPN project files, containing data/experiment descriptions as well as peak lists generated by Bruker software.

Collaborations with the groups of Vladislav Orekhov and Martin Billeter (Univ. of Göteborg, partner 5) have resulted in integrated support for MDD and PRODECOMP methods in TopSpin™, providing e.g. adapted pulse sequences, and pipelined processing structures. User-friendly, dialog- based setup tools are in advanced development state and are expected to be part of the next major software release.

The Auremol protein package of the Univ. of Regensburg (partner 6) is directly accessible from Bruker Software and is included in the TopSpin™ distribution.

Being an industrial partner, Bruker contributes to the dissemination of results of this project by providing information on User Meetings and documentations.

The sophisticated data acquisition with NMR spectrometers constitutes the starting point for any analysis pipeline like the Extend-NMR project provides. Bruker software offers comfortable, state- of-the-art functionalities to ease that task and to support the transfer of its results to other software packages.



Key Facts

  • Adaption of fast acquisition methods like MDD and PRODECOMP
  • Comfortable setup of acquisition as well as seamless integration with existing processing commands
  • Interface to data export in CCPN data model
  • Link to Extend-NMR graphical user interface, if installed
  • Link to AUREMOL

Selection of NUS acquisition in TopSpin™
PRODECOMP setup and shapes
Export to CCPN data model