Go to “Compound – Auto Determine – Bond Midpoints”. Now we can create the augmented variant within ToposPro.ĥ. Copy the entry of choice (here reo ) from the “idealnets.cmp” into the newly created database. Even if the coordinates of the augmented version of a net is not in your database “idealnets.cmp”, it is very likely that the coordinates of the basic net are available in the ToposPro database “idealnets.cmp”.ģ. But, if the net from which you want to make a nice-looking figure is present, proceed with step # 15.Ģ. 3000 nets, within ToposPro and look-up, if you can find the desired net. Open this database, which contains approx. There are two possible sources:Ī) RCSR (please checkmark the “including augmented version” option) – for reo the search is unsuccessfullī) ToposPro is delivered with a database called “idealnets.cmp” (search with your File Explorer to find this file). the space group of the net and the fractional coordinates of the nodes. In general, you need the structural information of the net-a net, i.e. In this tutorial we want to make an image of the net reo-a.ġ. Although the gorgeous freeware VESTA has also some capabilities in that respect it is, unfortunately, not suitable.
Two of the most frequently used (commercial) packages for this purpose are Diamond and CrystalMaker. There is one requisite in order to be able to create and make great looking images of augmented nets: A software package that has the option to make and show customizable coordination polyhedra. Making beautiful pictures of beautiful nets in augmented version
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