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Debyer
The program takes as an input a file with atom positions and can output X-ray and neutron powder diffraction pattern, total scattering structure function, pair distribution function and related functions.
http://www.unipress.waw.pl/debyer/
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publCIF
Free software to edit and preview a CIF for publication. Windows, Linux and MacOS platforms.
http://journals.iucr.org/services/cif/publcif/
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NetSci: Software Listing for Crystallography
List of crystallography software.
http://www.netsci.org/Resources/Software/Struct/xray.html
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CCP4
Comprehensive computing suite for protein crystallography. VMS and Unix platforms.
http://www.ccp4.ac.uk
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ScanOrient
Research and education tool for quickly orientating and indexing back-reflection Laue patterns from Polaroid films. Windows platform.
http://www.multiwire.com/scanorient2.html
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Phenix
Software suite for the automated determination of macromolecular structures using X-ray crystallography and other methods.
http://www.phenix-online.org/
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Oscail X
Windows Software for Crystallography and Molecular Modelling from National University of Ireland.
http://www.nuigalway.ie/cryst/software.html
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Mercury
Offers a comprehensive range of tools for structure visualisation and the exploration of crystal packing. Free download, available for Windows, AIX, IRIX, Linux and Solaris.
http://www.ccdc.cam.ac.uk/products/mercury/
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enCIFer
Intuitive, user-friendly graphical program for CIF checking, editing and visualisation. Windows, Linux and Solaris platform.
http://www.ccdc.cam.ac.uk/free_services/encifer/
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The Area Diffraction Machine
The project homepage of the Area Diffraction Machine, an open source program for performing general two dimensional diffraction data analysis.
http://code.google.com/p/areadiffractionmachine/
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