FREE SOFTWARE

ESPOIR

Reverse Monte Carlo and pseudo simulated annealing code for ab initio crystal structure determination, either from scratch (random starting model) or by "molecule location", fitting either to "|Fobs|" extracted by powder diffractometry or to single crystal data.

FOX

Ab initio crystal structure solution from diffraction data - mostly powder diffraction data.

GSAS

A set of programs for the processing and analysis of both single crystal and powder diffraction data obtained with x-rays or neutrons.

KPLOT

Multi-purpose tool for crystal structure drawings and analysis.

SCHAKAL

A program for the graphical representation of molecular and solid-state models.

SHELX

Set of programs for crystal structure determination from single-crystal diffraction data.