After drawing a chemical structure, selecting the lasso tool and moving the mouse pointer over any rotatable bond, then a torsion angle histogram is displayed, which shows all torsion angles of similar bond environments from x-ray structures of the Cambridge Structural Database (CSD). A dynamic Newman projection is updated, when the mouse pointer moves over the histogram. This applet allows a fast conformational analysis of chemical structures based on reliable x-ray data.
Originally this page contained a Java applet letting you draw a molecule and display torsion angle histograms of crystallographic data directly from within the web browser. Because of the dwindling support of web browsers for Java applets, we now offer a small Java app with the same functionality. This app can be downloaded as a single file, does not require any installation and can be launched by a double click, provided you have a Java Runtime environment installed. To download the TorsionExplorer app just press the Download button below.
This tool was possible thanks to the kind support of Saulius Grazulis and Antanas Vaitkus from the Crystallography Open Database (COD).