Nanoparticle shell-depth calculator

You have reached the front page of nanoparticle shell-depth calculator. As input you need to provide a .xyz file. It first calculates coordination number for each atom and then uses these values with Kneedle algorithm to find optimal shell-depth.

References:

Burk, J.; Sikk, L.; Burk, P.; Manshian, B.; Soenen, S. J.; Scott-Fordsmand, J. J.; Tamm, T.; Tämm, K. Fe-doped ZnO nanoparticle toxicity: assessment by a new generation of nanodescriptors. Nanoscale, 2018, 10, 21985- 21993. DOI: 10.1039/C8NR05220D

Tämm, K.; Sikk, L.; Burk, J.; Rallo, R.; Pokhrel, S.; Mädler, L.; Scott-Fordsmand, J.J.; Burk, P.; Tamm, T. Parametrization of nanoparticles: development of full-particle nanodescriptors. Nanoscale, 2016, 8, 16243-16250. DOI: 10.1039/c6nr04376c