FOX, current state and possibilities

0482888 - FZÚ 2018 RIV CH eng J - Článek v odborném periodiku
Černý, R. - Favre-Nicolin, V. - Rohlíček, Jan - Hušák, M.
FOX, current state and possibilities.
Crystals. Roč. 7, č. 10 (2017), s. 1-9, č. článku 322. ISSN 2073-4352. E-ISSN 2073-4352
Institucionální podpora: RVO:68378271
Klíčová slova: powder diffraction * crystal structure solution * global optimization * reversed Monte Carlo * simulated annealing
Obor OECD: Computer hardware and architecture
Impakt faktor: 2.144, rok: 2017

FOX (Free Objects for Xtallography) is a computer program for solving crystal structures of all types of compounds using the powder data (but also the single crystal data) measured using X-ray, neutron and electron diffraction. It works in direct space using the reversed Monte Carlo algorithm of global optimization. Since its release fifteen years ago, it has developed into a powerful tool, simplifying the powder pattern analysis starting from the background determination, indexing and space group selection over the structure modelling using various pre-programmed structural fragments up to the v alidation of the proposed structural model.

Trvalý link: http://hdl.handle.net/11104/0278275