TopSpin 2.1

New features and applications of the latest release of TopSpin

Semi-automatic protein backbone assignment

TopSpin 2.1 introduces AUTOLINK™ that offers a semi-automatic protein backbone assignment. Due to the complexity of NMR spectral data, backbone assignment is usually a tedious and time-consuming challenge that now can be at least partly overcome by this new feature in TopSpin2.1.
 

Semi-automatic protein backbone assignment
3D peak list of a protein with backbone assignments and direct link (1-click) into spectrum

Structure verification using two dimensional NMR and chemical shift prediction

TopSpin™ 2.1 introduces a new molecular structure verification tool using a powerful combination of experimental NMR data and computational tools.  The required experimental information is provided by the measured 1H-13C HSQC shift correlation data.  The computational tool is provided by an embedded plug in module in TopSpin from PERCH software that calculates chemical shifts based on the molecular structure. The two pieces of information are then analyzed, compared and reported back to the user in an easy to read visual format.
 

Structure verification tool
Structure verification tool

Simplified preparation of selective experiments

  • ShapeTool delivers simple workflow to optimize selective NMR experiments 
  • Definition of one or several spectral excitation regions of interest
  • Automatic calculation of pulse shape and pulse power
  • Display of spectrum, region of interest, pulse shape and excitation profile at the same time
  • Interactive adjustment of all relevant parameters for optimum experimental conditions
Setup of selective experiments using TopSpin 2.1
Setup of selective experiments using TopSpin 2.1

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