DiaBall is the open-source application for generation, modification and visualization of diamond balls of sizes up to 10nm (nanodiamond). Obtained molecules can be stored in PDB format.
With PDB format you can use obtained diamond balls to put hydrogen atoms with OpenBabel or any other radicals on a surface with Avogadro.
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Description of control commands
Fig.1. Diamond ball 2 nm diameter with deformed surface atoms
Application was used for obtaining the deformed nanodiamond models for research of their electronic properties.
Fig. 2. (a) Magnitude of the atom position shift to the origin vs. coordinate (fitted to the function (1) with parameters s = 10, a = 0.08). (b, c) Compression of the C302 diamond ball according to the function (1). Initial diamond ball (green) and deformed (black)