TorsionAnalyzer CSD Torsion Library

TorsionAnalyzer CSD Torsion Library from BioSolveIT

The ability to both understand and generate accessible low-energy conformers is indispensable for small molecule drug discovery. We have made the analysis easily accessible through an interactive graphical software tool called TorsionAnalyzer

Rotatable bonds of molecules are color-coded on the fly by means of a traffic light highlighting regular, borderline and unusual torsion angles. This allows the user to see at a glance if one or more torsion angles are out of the ordinary



TorsionAnalyzer has been developed by Christin Schärfer in Matthias Rarey’s group at the ZBH, University of Hamburg, in collaboration with F. Hoffmann-La Roche AG (Basel, Switzerland). For more details please see the original publication (DOI: 10.1021/jm3016816).

BioSolveIT provides the download of the TorsionAnalyzer software. However, this is exclusive of the CSD-based data. Subscribers of the CSD may download here the CSD torsion angle distribution data for optimum use of the TorsionAnalyzer.