- Amira
An advanced 3D visualization and modeling system, especially useful for displaying 3D image data and simulation results. Powerful segmentation tools and automatic geometry reconstruction help to generate surface models (e.g. VRML) from 3D image data.
http://www.amiravis.com/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
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- Datasqueeze Software
A graphical interface for analyzing data from 2D X-ray diffraction detectors (wire, image plate, CCD). Particularly useful for the analysis of powder diffraction data, diffuse scattering from polymers or liquid crystals, or small-angle scattering from colloids, polymers, gels, or solutions. Runs on PC, Mac, Linux.
http://www.datasqueezesoftware.com
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
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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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- Endeavour
A program designed for the solution of crystal structures from powder diffraction data. Its concept implies a combined global optimization of the difference between the calculated and measured diffraction pattern and of the potential energy of the system.
http://www.crystalimpact.com/endeavour/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
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- EPMR
A general-purpose program for crystallographic molecular replacement. Precompiled binaries available for Linux, Mac OS X and MS Windows.
http://www.epmr.info/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
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- Fullprof
Software for evaluation of powder and single crystal diffraction. Could perform rietveld and LeBail analysis on constant wavelength, energy dispersive and time of flight diffractograms. Has the potential to refine magnetic structures, perform simulated annealing and lot more.
http://www.ill.eu/sites/fullprof
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
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- LaboTex
Qualitative and quantitative analysis of crystallographic textures. ODF calculation using both types of experimental data - pole figures (X-ray, neutrons) or sets of individual orientations (EBSD, model calculations). Windows platform.
http://www.labosoft.com.pl/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
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- PLATON
A versatile crystallographic program implementing a large variety of standard geometrical calculations, tests, utilities, graphics and several filters. Unix and Windows platforms.
http://www.cryst.chem.uu.nl/platon/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
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- PowDLL
A .NET dynamic link library used for the interconversion procedure between variable formats of Powder X-Ray files. The DLL is capable of handling 14 file formats (binary and ASCII).
http://users.uoi.gr/nkourkou/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
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- Queen of Spades
Implementation of a Molecular Replacement method which simultaneously determines the rotational and translational parameters of all copies of a search model in the crystallographic asymmetric unit of a target structure. Unix, VMS and Windows platforms.
http://www.mbg.duth.gr/~glykos/Qs.html
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
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- RAD, FIT, PEDX, IFO
RAD - program for analysis of X-ray diffraction data from amorphous materials. FIT - program for decomposition of powder diffraction patterns and profile analysis of pair correlation functions. PEDX - program for radial-distribution-function analysis of energy-dispersive X-ray diffraction data from disordered materials. IFO - program for image-reconstruction-type calculation of atomic distribution functions for disordered materials.
http://www.pa.msu.edu/~petkov/software.html
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
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- ReX
A program based on the Rietveld method that allows to perform quantitative and structural analyses starting from powder diffraction data. Windows, Mac and Linux platforms.
http://www.rexpd.com/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
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- SNAP Software
Software packages designed to match and analyse powder diffraction patterns utilising their full profiles; dSNAP is a new software package to help users automatically classify and visualise the results of database searches using the CSD.
http://www.chem.gla.ac.uk/snap/
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
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- SnB
A computer program based on Shake-and-Bake, a dual-space direct-methods procedure for determining crystal structures from X-ray diffraction data.
http://www.hwi.buffalo.edu/SnB/
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- WinGX
System of programs for solving, refining and analysing single crystal X-ray diffraction data for small molecules. Provides a consistent and user-friendly GUI for some of the best publicly-available crystallographic programs. Interfaces to other popular programs such as SHELXL-97 and SIR-97.
http://www.chem.gla.ac.uk/~louis/software/wingx
(Added: Mon Apr 04 2011 Hits: 0 Rating: 0.00 Votes: 0)
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- XPowder
A program for qualitative (PDF2 data base) and least-square full-profile quantitative analysis of phases in crystaline and amorphous powder samples by X-Ray diffraction. Windows platform.
http://www.xpowder.com
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- Xtal
A package of over sixty programs for calculations ranging from the reduction of raw diffraction intensities, to the solution, refinement and publication of crystal structures. These are applicable to X-ray, neutron and electron diffraction analyses, including charge density studies. The package contains interactive graphics tools and is available as execution modules for most common platforms.
http://xtal.sourceforge.net/
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