Science Physics Crystallography Software

61 sites in Software

Best Prices On Software Save
Computers, Networking & More. Best Prices On Software on Sale.
www.NexTag.co.uk/computers (sponsored link)

SINCRIS Save
Database of software for crystallography.
http://www.lmcp.jussieu.fr/sincris-to...

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

Amira Save
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/

AutoDock Save
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/...

BUSTER-TNT Save
A software system for crystallographic structure determination by Bayesian statistical methods. Irix and Linux platforms.
http://www.globalphasing.com/buster/

Bond Valence Wizard Save
A program for prediction of interatomic distances in crystal structures.
http://orlov.ch/bondval/

CAOS Save
A crystallographic package for crystal structure determination from single crystal diffraction data.
http://www.ccp14.ac.uk/ccp/web-mirror...

CCP14 - Collaborative Computational Project Number 14 Save
Freely available crystallographic software for single crystal and powder diffraction.
http://www.ccp14.ac.uk

CaRIne Crystallography Save
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-windowed interface.
http://pros.orange.fr/carine.crystall...

ConvX Save
A programm for converting between different X-ray powder diffraction file formats. Windows platform.
http://www.ccp14.ac.uk/ccp/web-mirror...

Crystal Studio Save
Display and manipulation of crystal structures and simulation of diffraction patterns. Windows 95/98/NT platform.
http://www.crystalsoftcorp.com/Crysta...

CrystalDesigner Save
Tool for building, studying and visualizing all kinds of crystal structures. MacOS platform.
http://www.crystaldesigner.no/

CrystalMaker Software Save
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

Crystallographic Computer Programs by M. Nardelli Save
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/softwar...

Crystals Save
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

DIRDIF Save
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/soft...

Datasqueeze Software Save
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

Debyer Save
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/

Diamond - Visual Crystal Structure Information System Save
an MS Windows application for the exploration and drawing of crystal structures.
http://www.crystalimpact.com/diamond

ESPOIR Save
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/

EUHEDRAL Save
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/e...

Endeavour Save
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/

FOX Save
A free, open-source program for the global optimization of crystal structures from powder diffraction data.
http://objcryst.sourceforge.net/Fox/

GRASP Save
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/

GSAS Save
Set of programs for the processing and analysis of both single crystal and powder diffraction data.
http://www.ncnr.nist.gov/programs/cry...

HKL Save
The triad of Denzo, XDisplayF and Scalepack: programs to visualize and interpret X-ray diffraction images.
http://www.hkl-xray.com/

Isodisplace Save
An interactive tool for generating, visualizing, and manipulating the structural distortion modes of crystalline materials.
http://stokes.byu.edu/isodisplace.html

Jana2000 Save
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

KPLOT Save
Multi-purpose tool for crystal structure visualization and analysis, free download, available for Windows and Linux
http://www.crystalimpact.de/download/...

Kcristal Save
A live-CD of the GNU/Linux mounted with the importants programs of crystallography for the powder methods.
http://labcacc.iq.unesp.br/kcristal/

LaboTex Save
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/

Mercury Save
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/cs...

NetSci: Software Listing for Crystallography Save
List of crystallography software.
http://www.netsci.org/Resources/Softw...

ORTEP-III Save
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/

Oscail X Save
Windows Software for Crystallography and Molecular Modelling from National University of Ireland.
http://www.ucg.ie/cryst/software.htm

PLATON Save
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/

PROCHECK Save
Protein structure validation program. Unix platform.
http://www.biochem.ucl.ac.uk/~roman/p...

PowDLL Save
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/

Powder3D Save
A multi-pattern data reduction and graphical presentation software.
http://www.fkf.mpg.de/xray/html/powde...

Queen of Spades Save
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

RAD, FIT, PEDX, IFO Save
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/softwar...

RPluto Save
An X-windows tool for visualising molecular crystal structures on UNIX (including Linux) platforms.
http://www.ccdc.cam.ac.uk/free_servic...

Richardson Lab Web Site: 3D Analysis Software Save
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/soft...

SHARP Save
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/

SHELX-97 Save
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/

SIR97/SIR2002/SIR2004 Save
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_for...

SNAP Software Save
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/

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

ScanOrient Save
Research and education tool for quickly orientating and indexing back-reflection Laue patterns from Polaroid films. Windows platform.
http://www.multiwire.com/ScanOrient.html

SnB Save
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/

TOPOS Save
A program package for multipurpose geometrical and topological analysis of crystal structures. It works with crystal structure databases.
http://www.topos.ssu.samara.ru/

TOPXD Save
Topological analysis program for experimental static electron density based on Hansen-Coppens multipole formalism.
http://harker.chem.buffalo.edu/public...

UMWEG and PSILAM Save
Programs for calculation and graphical representation of multiple diffraction patterns.
http://www.rrz.uni-hamburg.de/mpi/ros...

Uppsala Software Factory Save
Software for macromolecular crystallography and structural biology. Many of these programs collaborate with "O" (see there).
http://alpha2.bmc.uu.se/~gerard/manuals/

WinGX Save
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/soft...

XAct Save
An application that can be used to construct, maintain, and record the results of many crystallisation experiments.
http://zombie.imsb.au.dk/xact/

XPowder Save
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

Xtal Save
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/

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

publCIF Save
Free software to edit and preview a CIF for publication. Windows, Linux and MacOS platforms.
http://journals.iucr.org/services/cif...