Early studies
(DLS, METAPOCS, INSIGHT,
MNDO, THEO)
Model location without
energy minimization
(PATSEE, DIRDIF, grid-search,
ROTSEARCH, P-RISCON, Monte Carlo, OCTOPUS, simulated annealing, genetic
algorithm)
Crystal packing considerations
(PMC, PROMET)
"ab initio" prediction
(cell + chemical formula)
(GASP, GULP)
Hybrid approach
(FOCUS)
METHODS
used for really unknown
compounds up to 1998
Other new recent software
for molecule location
or structure determination from random starting models
Monte Carlo in FULLPROF
PowderSolve by MSI (commercial)
ENDEAVOUR (commercial/free)
ESPOIR