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Free Objects for Crystallography F.O.X. is a free and open source application (for Mac OS X, Linux and Windows) that was made for the ab initio crystal structure solution from diffraction data (mostly powder diffraction data). Here are some key features of "F.O.X.": · a versatile description of the crystal contents: either isolated atoms , molecules described using a bond length, bond angles and dihedral angles, and polyhedra for inorganic compounds. You can describe your structure by using any combination of groups of atoms, using a chemist's or crystallographer knowledge about the connectivity in your sample to constrain possible solutions.. · an automatic correction for special positions and shared atoms between polyhedra, suitable for global optimization algorithms. · the ability to use simultaneously multiple powder patterns (X-rays, neutrons), as well as single crystal data (e.g. extracted from a powder pattern) · smart global optimization algorithms which can get out of false minima. · a graphical interface with a 3D crystal structure view, with live updates during the optimization process. What's New in This Release: NEW FEATURES: · Add powder pattern -> Fullprof export (creates .pcr and .dat) · Add the ability to convert a list of atoms to a Molecule. IMPROVEMENTS: · More optimized integration intervals for powder pattern · Allow choosing the number of peaks used for manual indexing · Avoid identical triclinic unit cells BUG FIXES: · Correctly handle change of Crystal for powder patterns, regenerate HKL list.

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