Regular visualisation tools for net discovery and analysis

We will have a look at some widely used free and commercial software for crystallography and molecular visualisation and analysis Mercury, Diamond, CrystalMaker and RPluto. This section should not be seen as a complete review of these programs, if you are in the process of choosing such software ensure that you consult other sources and review other properties as well. 

Available for Windows, MacOS X, Linux and UNIX systems, this program is freeware and is developed at the Cambridge Crystallography Data Centre, CCDC [3J. 

Further expansion of the pictures above results in a three dimensional net and the experienced net hunter might even recognise them. However, it is usually easier to use a more advanced program to find the net. 

We will treat the 3,3, 5,5 -tctramcthyl-4,4 -bipyrazolyl molecule as containing two three-connected nodes. However, one could also argue that the whole molecule in this structure is a 4-connected node, giving a diamond, dia net. Whatever one decides, these assumptions or simplifications should be explained clearly in the subsequent manuscript. 

I igure 13.4, Short contacts in structure UDAYUT, in this case hydrogen bonds. Note that Mercury distinguishes between hydrogen bonds and short contacts by using different colours. 

---