SDPD Round Robin
Public-domain products available
SDPD-D : Structure Determination from Powder Diffraction - Database. Hypertext compendium of more than 400 publications about ab initio structure determination from powder diffraction data. Methods and softwares are listed and briefly described, statistics are given in several hyperlinked files. Search by keyword is allowed and a tutorial (in french or in english) explaining how to determine a structure from powder data is available. See also the full conference given on the subject at ACA'97. and at ECM-18. Consult the conclusions of theStructure Determination by Powder Diffractometry Round Robin (SDPDRR).
: A special purpose Reverse Monte Carlo code for ab initio crystal structure
determination, either really from scratch random initial model) or by molecule
location, fitting either to "|Fobs|" extracted by powder diffractometry
or to single crystal data. The source code is available.
McMaille : A program for indexing powder patterns by Monte Carlo. Source code available.
ARITVE : Glass Structure Modelling Software by the RDM method (Rietveld for Disordered Materials). Recent applications concern the modelling of NaPbM2F9 (M = Fe, V) fluoride glass structures (contribution to RMC Modelling Internet Conference 1997) and a comparison between RMC and RDM methods. Download a Win95 version of the RMCA software and some companions (RANDOM, MOVEOUT, CRYSTAL) plus a local special one for building starting configurations (NOCHAOS) and GLASSVIR for 3D visualization.
: A STRUPLO (R.X. Fischer) version producing VRML
files for 3D visualization of inorganic structures. If you have a VRML
viewer try example 1 or 2
3D nets in VRML : a 3D tutorial on AB3 crystal structures
built from octahedra sharing exclusively corners. See the "Molecule
of the Month", March 1997 : t-AlF3.
VRML at IUCr XVII (Seattle, August 8-17, 1996) : a Web page inside the more general report from the Surfing the Crystallographic Net (Crysnet) Workshop, together with the transparencies, full text, VRML examples and abstract of the conference VRML as a Tool for Exploring Complex Structures.
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