December 2014

Using the JSmol applet

If you need plotting capabilities but the current computer where you are in does not have Jmol or Molekel installed, you can run JSmol, a javascript version of Jmol from our website. Just go to the Utilities tab in the top menu and select "General Jmol Viewer". It will load a sample molecule by default.

In the graphics area, you can click the right-hand side mouse button and goto File->Load->Open local file to open a file from your computer, it works with the files we usually handle in the lab (.xyz, .cube, .MOLDEN).

Plotting using POVray

POVray is a program for creating graphics output (in our case of atomic structures) for publications.

You can export graphics output from our GUI, the JSmol viewer in this webpage or directly from Jmol. It doesn't actually require to have povray installed in the system to export in this format (unless you have checked the box that says "Run POV-Ray directly" in Jmol) .