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 a new and interactive graphical software tool called Torsion Analyzer
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
Torsion Analyzer has been developed by Christin Schärfer in Matthais 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 thedownload of the Torsion Analyzer 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 Torsion Analyzer.