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http://www.lmcp.jussieu.fr/sincris-top/logiciel/
Featured Site SINCRIS Open in a new browser windowLink Details
- Database of software for crystallography.
- http://www.lmcp.jussieu.fr/sincris-top/logiciel/

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Regular Websites in this category

CCP4 Open in a new windowLink Details
- Comprehensive computing suite for protein crystallography. VMS and Unix platforms.
- http://www.ccp4.ac.uk

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NetSci: Software Listing for Crystallography Open in a new windowLink Details
- List of crystallography software.
- http://www.netsci.org/Resources/Software/Struct/xray.html

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publCIF Open in a new windowLink Details
- 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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Debyer Open in a new windowLink Details
- 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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Kcristal Open in a new windowLink Details
- A live-CD of the GNU/Linux mounted with the importants programs of crystallography for the powder methods.
- http://labcacc.iq.unesp.br/kcristal/

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KPLOT Open in a new windowLink Details
- Multi-purpose tool for crystal structure visualization and analysis, free download, available for Windows and Linux
- http://www.crystalimpact.de/download/kplot.htm

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Richardson Lab Web Site: 3D Analysis Software Open in a new windowLink Details
- Software and methods source for molecular model visualization, model validation via all-atom contact analysis and utility. Linux, Mac, SGI, Sun, and Windows platforms.
- http://kinemage.biochem.duke.edu/software/

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SIR97/SIR2002/SIR2004 Open in a new windowLink Details
- Programs for solution and refinement of crystal structures by direct and Patterson methods using single crystal data. Unix and Windows platform.
- http://www.ic.cnr.it/registration_form.php

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CaRIne Crystallography Open in a new windowLink Details
- CaRIne is used for teaching crystallography and for research in materials science, chemistry and earth sciences. It brings real lattices, X-Ray diffraction diagrams, reciprocal lattices and stereographic projections all at the same time in a multi-windowe
- http://pros.orange.fr/carine.crystallography/

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Powder3D Open in a new windowLink Details
- A multi-pattern data reduction and graphical presentation software.
- http://www.fkf.mpg.de/xray/html/powder3d.html

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SNAP Software Open in a new windowLink Details
- 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/

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Queen of Spades Open in a new windowLink Details
- 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

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CrystalMaker Software Open in a new windowLink Details
- A real-time photo-realistic crystal structures program. Download a demo version, free diffraction software, and QuickTime VR movies. Windows and Mac platform.
- http://www.crystalmaker.com

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Bond Valence Wizard Open in a new windowLink Details
- A program for prediction of interatomic distances in crystal structures.
- http://orlov.ch/bondval/

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LaboTex Open in a new windowLink Details
- 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/

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Isodisplace Open in a new windowLink Details
- An interactive tool for generating, visualizing, and manipulating the structural distortion modes of crystalline materials.
- http://stokes.byu.edu/isodisplace.html

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Oscail X Open in a new windowLink Details
- Windows Software for Crystallography and Molecular Modelling from National University of Ireland.
- http://www.ucg.ie/cryst/software.htm

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ConvX Open in a new windowLink Details
- A programm for converting between different X-ray powder diffraction file formats. Windows platform.
- http://www.ccp14.ac.uk/ccp/web-mirrors/convx/

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XPowder Open in a new windowLink Details
- 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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DIRDIF Open in a new windowLink Details
- A computer program system for crystal structure determination by Patterson methods and direct methods applied to difference structure factors.
- http://www.xtal.sci.ru.nl/dirdif/software/dirdif.html

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PowDLL Open in a new windowLink Details
- 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/

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BUSTER-TNT Open in a new windowLink Details
- A software system for crystallographic structure determination by Bayesian statistical methods. Irix and Linux platforms.
- http://www.globalphasing.com/buster/

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SHARP Open in a new windowLink Details
- A computer program for refining a model of isomorphous heavy-atom substitution and calculating phase probabilities from it. Irix and Linux platforms.
- http://www.globalphasing.com/sharp/

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RPluto Open in a new windowLink Details
- An X-windows tool for visualising molecular crystal structures on UNIX (including Linux) platforms.
- http://www.ccdc.cam.ac.uk/free_services/rpluto/

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Mercury Open in a new windowLink Details
- 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/csd_system/mercury/

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ScanOrient Open in a new windowLink Details
- Research and education tool for quickly orientating and indexing back-reflection Laue patterns from Polaroid films. Windows platform.
- http://www.multiwire.com/ScanOrient.html

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XAct Open in a new windowLink Details
- An application that can be used to construct, maintain, and record the results of many crystallisation experiments.
- http://zombie.imsb.au.dk/xact/

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ORTEP-III Open in a new windowLink Details
- The Oak Ridge Thermal Ellipsoid Plot (ORTEP) program is a computer program, written in Fortran, for drawing crystal structure illustrations.
- http://www.ornl.gov/sci/ortep/

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TOPOS Open in a new windowLink Details
- A program package for multipurpose geometrical and topological analysis of crystal structures. It works with crystal structure databases.
- http://www.topos.ssu.samara.ru/

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Xtal Open in a new windowLink Details
- 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, inclu
- http://xtal.sourceforge.net/

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enCIFer Open in a new windowLink Details
- Intuitive, user-friendly graphical program for CIF checking, editing and visualisation. Windows, Linux and Solaris platform.
- http://www.ccdc.cam.ac.uk/prods/encifer/

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Datasqueeze Software Open in a new windowLink Details
- 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 col
- http://www.datasqueezesoftware.com

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GSAS Open in a new windowLink Details
- Set of programs for the processing and analysis of both single crystal and powder diffraction data.
- http://www.ncnr.nist.gov/programs/crystallography/software/gsas.html

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RAD, FIT, PEDX, IFO Open in a new windowLink Details
- 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
- http://www.pa.msu.edu/~petkov/software.html

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Crystallographic Computer Programs by M. Nardelli Open in a new windowLink Details
- Several programs used in the analysis and handling of diffraction data and atomic parameters from molecular compounds. Fortran sources and binaries for DOS and Silicon Graphics.
- http://www.unipr.it/~nardelli/software.html

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Endeavour Open in a new windowLink Details
- 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/

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FOX Open in a new windowLink Details
- A free, open-source program for the global optimization of crystal structures from powder diffraction data.
- http://objcryst.sourceforge.net/Fox/

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Amira Open in a new windowLink Details
- 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/

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SHELX-97 Open in a new windowLink Details
- Set of programs for crystal structure determination from single-crystal diffraction data. Runs on all systems including DOS.
- http://shelx.uni-ac.gwdg.de/SHELX/

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EUHEDRAL Open in a new windowLink Details
- Refinement of crystal shape against the intensities of multiple measured reflections coming from redundant area detector data for an analytical absorption correction. Needs the PLATON package.
- http://www.crystal.chem.uu.nl/distr/euhedral/

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TOPXD Open in a new windowLink Details
- Topological analysis program for experimental static electron density based on Hansen-Coppens multipole formalism.
- http://harker.chem.buffalo.edu/public/topxd/

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CAOS Open in a new windowLink Details
- A crystallographic package for crystal structure determination from single crystal diffraction data.
- http://www.ccp14.ac.uk/ccp/web-mirrors/caos/isc/caos/

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ARITVE Open in a new windowLink Details
- Modelling amorphous structures by a Rietveld-type refinement of the atomic coordinates. Windows 9x/NT platform.
- http://www.cristal.org/aritve.html

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WinGX Open in a new windowLink Details
- 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 pr
- http://www.chem.gla.ac.uk/~louis/software/wingx

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UMWEG and PSILAM Open in a new windowLink Details
- Programs for calculation and graphical representation of multiple diffraction patterns.
- http://www.rrz.uni-hamburg.de/mpi/rossmanith/frame.html

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ESPOIR Open in a new windowLink Details
- Open source software for solving crystal structures from powder diffraction data (or single crystal data) by Monte Carlo methods.
- http://www.cristal.org/sdpd/espoir/

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SPEC / Certified Scientific Software Open in a new windowLink Details
- A UNIX-based software package for instrument control and data acquisition used for X-ray diffraction laboratories.
- http://www.certif.com/

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CCP14 - Collaborative Computational Project Number 14 Open in a new windowLink Details
- Freely available crystallographic software for single crystal and powder diffraction.
- http://www.ccp14.ac.uk

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AutoDock Open in a new windowLink Details
- AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.
- http://www.scripps.edu/pub/olson-web/doc/autodock/

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Crystals Open in a new windowLink Details
- The software package for single crystal X-ray structure refinement and analysis consists of CRYSTALS, Cameron and specially recompiled versions of SIR92 and SHELXS.
- http://www.xtl.ox.ac.uk/crystals.html

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CrystalDesigner Open in a new windowLink Details
- Tool for building, studying and visualizing all kinds of crystal structures. MacOS platform.
- http://www.crystaldesigner.no/

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HKL Open in a new windowLink Details
- The triad of Denzo, XDisplayF and Scalepack: programs to visualize and interpret X-ray diffraction images.
- http://www.hkl-xray.com/

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PLATON Open in a new windowLink Details
- 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/

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Diamond - Visual Crystal Structure Information System Open in a new windowLink Details
- an MS Windows application for the exploration and drawing of crystal structures.
- http://www.crystalimpact.com/diamond

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Jana2000 Open in a new windowLink Details
- System for solving and refinement of regular, modulated and composite structures from monocrystal and powder diffraction data.
- http://www-xray.fzu.cz/jana/jana.html

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Crystal Studio Open in a new windowLink Details
- Display and manipulation of crystal structures and simulation of diffraction patterns. Windows 95/98/NT platform.
- http://www.crystalsoftcorp.com/CrystalStudio/

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SnB Open in a new windowLink Details
- 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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Uppsala Software Factory Open in a new windowLink Details
- Software for macromolecular crystallography and structural biology. Many of these programs collaborate with "O" (see there).
- http://alpha2.bmc.uu.se/~gerard/manuals/

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PROCHECK Open in a new windowLink Details
- Protein structure validation program. Unix platform.
- http://www.biochem.ucl.ac.uk/~roman/procheck/procheck.html

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GRASP Open in a new windowLink Details
- Display molecules and molecular surfaces, optionally representing a field (for example electrostatic) as local colors. Silicon Graphics (IRIX) platform.
- http://trantor.bioc.columbia.edu/grasp/

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