Here are some helpful things for you to get your work done!

Olex2 download for X-ray diffraction structure solution. Also see my post about installing SHELX and PLATON using scripts developed by Shane Liesegang.

Mercury from the Cambridge Crystallography Data Centre is one of the most popular programs to visualize crystallographic information. It is free to use and can be obtained on Windows, Mac, and Linux machines.

To download the program for your personal use, follow these instructions:

  1. Head to the download page and look for “Mercury (Incorporating enCIFer)”
  2. Download the file that corresponds to your operating system
    1. I’ll be honest that the newer versions of Mercury get progressively slower and less smooth in their animations. I have opted to work with version 3.9. You can access older versions by selecting “Legacy Downloads” in the upper righthand corner.
    2. If you have a Mac, also click on the “Details” link on that same page next to the Mac OSX download link. This will bring up a pop up. Download XQuartz and install that program before doing the installation of Mercury.
  3. Install Mercury and start it up!
  4. You can now open files of various different formats (.cif, .res, .xyz, .pdb) and visualize the structure.