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Crystallography Software

Biology WorkBench
Access to protein and nucleic acid databases, and selection of software for crystallographers. From the San Diego Supercomputer Center, University of California at San Diego.

CCDC Products
Use these software packages to manipulate data from the Cambridge Crystallographic Data Center.

CCP14
Powder diffraction and single-crystal diffraction analysis. Available from A. J. Holland, Daresbury Laboratory.

CrystalDesigner
Macintosh software for building and viewing crystal structures. From Crystal Structure Design.

CrystalSoft
Research and teaching packages includes Crystal Studio.

DIFRAC
Allows standardization of output from single-crystal diffractometers.

DISCUS
Simulates defect structures and diffuse scattering. From R. B. Neder and Th. Proffen, Bayerische Julius-Maximilians-Universität Würzburg.

DRXWin and CreaFit
Manipulates X-ray diffraction files from different diffractometers. From Universitat de València.

ESM Software
Materials science software includes ceramics, crystallography, polymers, and thermochemistry.

International Center for Diffraction Data
Powder diffraction databases and PCPDFWIN database extraction software.

Molecular Simulations
Distributors of molecular modeling and molecular biology software.

Molecular Structure Corporation
Crystallography software and instrumentation.

ORTEP-III
Program draws publication-quality illustrations of crystal structures. From Oak Ridge National Laboratory.

Oxford Cryosystems
Designers of Crystallographica and Crystallographica Search-Match packages.

POV-Ray
Allows three-dimensional representations of structures.

PowderCell
For refinement of crystal structure models. From the Federal Institute for Materials Research and Testing.

RasMol & Chime
Free downloads of these popular molecular visualization programs.

SInCris Software
Searchable database lists available crystallography software. From Laboratoire de Minéralogie-Cristallographie.

SnB
A variant of the Shake-and-Bake program that evaluates crystal structure.

Weber, Steffen
Programs and applets for crystallographic analysis.

Xtal_GX
Reads and writes Crystallographic Information Files. Enables structural plotting and display.