SinCris

Crystallographic Software Database

Last updated 07.06.2007

G   [top]

GARLIC
Entered: Thu Apr 10 DFT 2003
Operating systems: Unix, Linux.
Languages: C.
Application fields: Biology, Graphics, visualization, virtual reality.
Description: Visualization of biomolecular structures.
References:
http://garlic.mefos.hr/garlic/
GDE
Entered: Fri Nov 22 8:27:23 NFT 1996
Application fields: Biology.
Description: Genetic Data Environment. An expandable GUI for multiple
References:
Gilbert Lab Bioinformatics Group
GENEFP
Entered: Thu Dec 28 8:27:23 NFT 20066
Operating System: Linux.
Type: Binary, shell.
Distribution: free
Application fields: Powder.
Bibliography: JAC (2006) 39, 4, 615
Description: Full-profile fitting program for Cu-target X-ray powder patterns. Determines integrated intensities and search for proper fundamental parameters. When some parameters, such as the grain size, have large uncertainties, the genetic algorithm has an advantage over conventional least-squares methods in finding the global extremum.
References:
http://crystallography.zhenjie.googlepages.com/index.html
GETAREA
Entered: Thu Jul 16 10:12:57 DFT 1998
Operating systems: Unix, MacOS, Windows, .
Languages: Web interface.
Distribution: Free
Application fields: Biology.
Bibliography: Fraczkiewicz, R. and Braun, W. (1998), J. Comp. Chem., 19, 319-333.
Description: Quick calculation of solvent accessible surface area or solvation energy
References:
http://www.scsb.utmb.edu/getarea/area_form.html
GETSPEC
Entered: Mon Sep 7 9:23:41 DFT 1998
Operating systems: Unix, MacOS, Windows, VMS, .
Type: Source.
Languages: Fortran.
Distribution: Free
Application fields: Minerals, Powder.
Description: Calculates the symmetry operators and special positions for any setting of any space group based on the Hall space group symbol (S.R.Hall (1981) Acta Cryst, A37, 517-525). The input may also be given as a Hermann-Mauguin symbol in the setting-specific form used by the Inorganic Crystal Structure Database. The output lists the special positions with their multiplicities, site symmetries and all equivalent coordinates. Wyckoff letters are not given as they cannot be assigned algorithmically.
References:
mailto:idbrown@mcmaster.ca
GID_SL
Entered: Tue Nov 18 9:26:14 NFT 1997
Operating systems: Unix, Windows, .
Type: Binary.
Languages: HTML form interface.
Distribution: Free
Application fields: Characterization, Diffraction, Materials Science, Surface.
Description: Simulates dynamical x-ray diffraction from strained crystals, multilayers, and superlattices. Applicable to any coplanar and non-coplanar Bragg-case geometry. The following structure profiles can be simulated: 1. Normal lattice strains da(z)/a; 2. Crystal polarizabilities x0(z), xh(z); 3. Interface roughness in multilayers (rms).
References:
http://sergey.gmca.aps.anl.gov/GID_SL.html
GIXS
Entered: Fri May 1 10:54:55 DFT 1998
Operating systems: Windows.
Type: Binary.
Distribution: Commercial
Application fields: Materials Science.
Description: Fluorescence, specular reflectivity and diffuse scattering modelization
References:
http://www.bede.com/gixs.html
GLASSVIR
Entered: Wed Apr 16 8:48:45 DFT 1997
Operating systems: Windows.
Distribution: Free
Application fields: Graphics, visualization, virtual reality, Minerals, Modelling.
Description: GLASSVIR is a program for preparing VRML-1 files for 3D visualization (on the Web or at home) of a selected atom-pair from your RMCA configuration file (.cfg). It is best suited for glasses with exclusive coordination (oxygen or fluorine atoms around a cation for instance). Output as polyhedral and wireframe renderings.
References:
http://fluo.univ-lemans.fr:8001/glasses/glassvir.html
GRASP
Entered: Fri Nov 22 8:27:30 NFT 1996
Operating systems: Irix.
Distribution: Commercial
Description: Molecular visualization and analysis program
References:
GRASP Home Page
GRETEP
Entered: Fri Sep 29 10:20:55 DFT 2000
Operating systems: Windows.
Type: Source.
Distribution: Free
Application fields: Graphics, visualization, virtual reality.
Description: Part of the LMGP suite. Thermal Ellipsoids Plot Structure Viewing, Thermal Ellipsoid Plotting and analysis Software
References:
http://www.ccp14.ac.uk/tutorial/lmgp/gretep.html
GRINSP
Entered: Thu Apr 14 15:20:55 DFT 2005
Operating systems: Windows.
Type: Source, Binary.
Language: Fortran
Distribution: Free
Application fields: Structures.
Description: Monte Carlo code for the prediction of inorganic structures built up from defined polyhedra. Limited to the P1 space group and to 3-, 4-, 5- and 6- vertices polyhedra connected by corner...
References:
http://www.cristal.org/grinsp/
GSAS
Entered: Mon Jun 26 8:41:23 DFT 2000
Operating systems: HPUX, Irix, Windows, Linux, VMS.
Type: Binary.
Distribution: Free
Application fields: Minerals, Structure determination.
Description: Comprehensive system for the refinement of structural models to both x-ray and neutron diffraction data. The GSAS package can be used with both single-crystal and powder diffraction data (Rietveld analysis), even both simultaneously. Neutron data can be either from single-wavelength (reactor-based) instruments, or for those a bit more masochistic, time-of-flight instrumentation.
References:
http://www.ncnr.nist.gov/programs/crystallography/software/gsas.html
GSAS-Tools
Entered: Tue Jan 7 10:58:27 NFT 1997
Operating systems: Unix.
Distribution: Free
Application fields: Minerals, Structure determination, Chemistry, Powder.
Description: a simple tool to build and extract GSAS raw files
References:
Index of /software/gsas_tools/
GUEST
Entered: Thu June 8 9:45:00 NFT 2007
Operating systems: Windows, Linux
Distribution: Free
Application fields: Minerals, Structure determination, Chemistry, Powder.
Bibliography:
J.A.C. 40, 2007, pp583-588
Description: Developed for the solution of molecular crystal structures from powder diffraction data. In this package, a genetic algorithm is used for global optimization to search for the structural model. For more efficient calculation time, a modified Bragg R factor is used as the evaluation function for the genetic algorithm. Applications of this program for structure determination of molecular crystals from powder diffraction data are demonstrated with known and previously unknown structures. A friendly graphical user interface (GUI) is used to generate the control file and run the program.
References: chengdon@aphy.iphy.ac.cn
GULP
Entered: Mon Jan 8 9:45:00 NFT 2001
Operating systems: Unix, Irix, Cray, AIX, Solaris, OSF1, Linux, VMS.
Type: Source.
Languages: Fortran.
Distribution: Free academic
Application fields: Materials Science.
Description: General Utility Lattice Programme. Performs a variety of types of simulation on 3D periodic solids, gas phase clusters and isolated defects in a bulk material. Designed to handle both molecular solids and ionic materials through the use of the shell model.
References:
http://www.ch.ic.ac.uk/gale/Research/gulp.html
Gaussian94
Entered: Thu Jan 1 1:00:00 NFT 1970
Operating systems: Cray.
Distribution: Commercial
Application fields: Chemistry.
Description: integrated system of programs used in computational chemistry to carry out ab initio, Density Functional Theory and semi-empirical calculations.
References:
http://www.cray.com/PUBLIC/product-info/J90/GAUSSIAN/GAUSSIAN.html
GeneDoc
Entered: Fri Nov 22 8:27:24 NFT 1996
Operating systems: Unix.
Application fields: Biology.
Description: Full Featured Multiple Sequence Alignment Editor and
References:
GeneDoc Home Page
GenomeInspector
Entered: Fri Nov 22 8:27:29 NFT 1996
Operating systems: Unix.
Application fields: Biology.
Description: Fast large scale correlation analysis of
References:
AG BIODV: Software Development for Molecular Biology
Ghostscript
Entered: Fri Mar 7 20:02:09 NFT 1997
Operating systems: Unix, VMS, MacOS, Windows, .
Languages: C.
Distribution:
Application fields: Graphics, visualization, virtual reality.
Description: interpreter for Postscript, interpreter for PDF documents and C graphic library
References:
Ghostscript, Ghostview and GSview
Ghostscript
Entered: Fri Mar 7 20:02:10 NFT 1997
Operating systems: Windows, .
Languages: C.
Distribution:
Application fields: Graphics, visualization, virtual reality.
Description: Postscript previewer
References:
Ghostscript, Ghostview and GSview
Ghostview
Entered: Fri Mar 7 20:02:09 NFT 1997
Operating systems: Unix, VMS.
Distribution: Free
Application fields: Graphics, visualization, virtual reality.
Description: Postscript previewer
References:
Ghostscript, Ghostview and GSview
Gl_render
Entered: Mon Oct 19 9:04:55 DFT 1998
Operating systems: Irix, OSF1, Linux.
Type: Binary.
Distribution: Free
Application fields: Biology.
Description: To render crystal structure illustrations in POV-Ray (3.0) from MolScript or BobScript
References:
ftp://www.hhmi.swmed.edu/pub/gl_render/
GraphEnt
Entered: Tue Mar 13 16:26:33 NFT 2001
Operating systems: Irix, Solaris, OSF1, Linux.
Type: Source, Binary.
Languages: C.
Distribution: Free
Application fields: Diffraction, Structure determination.
Bibliography: Glykos, N.M. & Kokkinidis, M. J. Appl. Cryst. (2000). 33, 982-985
Description: Attempts to automate the procedure of calculating maximum entropy maps, with emphasis on the calculation of difference Patterson functions for macromolecular crystallographic problems, while providing a useful graphical output of the current stage of the calculation. Its ASCII-based scripting language is expected to make it portable to other (non-macromolecular) types of problems as well.
References:
http://Origin.imbb.forth.gr/~glykos/
Graphic files formats
Entered: Tue Jan 7 11:12:07 NFT 1997
Operating systems: .
Distribution: Free
Application fields: Graphics, visualization, virtual reality.
Description: These pages contain specifications for various
References:
The Graphics File Format Page

H   [top]

HARDPACK
Entered: Tue Jun 28 10:27:32 NFT 2005
Operating systems: MSDOS, Unix
Distribution: Free Academic
Language: Fortran 77, Binary
Application fields: Structures, Modelling
Bibliography:
http://www.xray.cz/ecm-cd/ecm/abstract/all/51.htm
Description: Prediction of crystal structure of organic compounds from molecular structure only by minimization of potential energy
References: http://home.snafu.de/r.rudert/HARDPACK-full.zip
HBPLUS
Entered: Fri Nov 22 8:27:32 NFT 1996
Application fields: Biology.
Description: Hydrogen Bond Calculator
References:
HBPLUS Home Page
HEAVY
Entered: Fri Nov 22 8:27:33 NFT 1996
Operating systems: Unix, VMS.
Distribution: Free academic
Application fields: Structure determination, Chemistry.
Description: Heavy atom search, refinement, and MIR/MAD phasing programs in an
References:
/sincris-top/logiciel/prg-heavy.html
HELIX
Entered: Fri Sep 17 12:27:33 NFT 2004
Operating systems: Windows.
Distribution: Free
Application fields: Structure determination, Chemistry.
Description: Fiber structure determination. Helpful for understanding the relationship between filament structure models and their diffraction patterns. Allows the construction of simple filament models. Calculates the filament diffraction pattern for visual inspection. Allows rapid qualitative testing of different possible models for the unknown structure.
References:
http://www.ccp13.ac.uk/software/program/Helix/INDEX.htm
HKL2MAP
Entered: Fri Sep 17 12:33:33 NFT 2004
Operating systems: Linux.
Language: shell script
Distribution: Free
Application fields: Structure determmination
Description: Graphical user-interface for macromolecular phasing. The current version connects several programs from the SHELX-suite to guide the user from analysing scaled diffraction data (SHELXC), via substructure solution (SHELXD) and phasing (SHELXE) to displaying an electron density map (Xfit). You need to have licenced versions of SHELXC/D/E and Xfit in the executable path of your computer.
References:
http://www.ifom-ieo-campus.it/hkl2map/
HKL2POWDER
Entered: Wed Jun 20 12:37:23 DFT 2001
Operating systems: Unix, Windows.
Type: Binary.
Distribution: Free academic
Application fields: Powder.
Description: To convert your single crystal HKL data to a pseudo-powder pattern: a) to perform a powder style search-match phase identification on the data; b) to see how the single crystal data compares with a bulk powder diffraction scan; c) to use the derived powder data for indexing (due to a possible twinned cell); d) or as an indexing or general teaching exercise.
References:
http://www.ccp14.ac.uk/tutorial/platon/hkl2powder.html
HMMER
Entered: Fri Nov 22 8:27:33 NFT 1996
Operating systems: Unix.
Application fields: Biology.
Description: Hidden Markov model software. Structure analysis of DNA and
References:
Eddy Lab, Dept. of Genetics, Wash.U., St. Louis
Hartree-Fock-Dirac Application
Entered: Wed Feb 5 9:17:29 NFT 1997
Operating systems: Windows.
Type: Binary.
Languages: Fortran, Pascal.
Distribution: Free
Application fields: Scattering, Electron structure and X-ray scattering.
Description: The program uses self-consistent field Hartree-Fock-Dirac method, the algorithm of which was developed by I. M. Band (Leningrad Institute of Nuclear Physics) and allows: 1) to calculate electron densities of the atoms with any electron configuration and their energy spectra 2) to visualize the electron densities calculated 3) to compute atomic scattering functions for X-rays;
References:
http://www.iphys.rnd.runnet.ru/home_page/kovtun
Hyperchem
Entered: Mon Jan 6 13:31:44 NFT 1997
Operating systems: Windows.
Distribution: Free
Application fields: Graphics, visualization, virtual reality.
Description: Molecular Dynamics
References:
Molecular Mechanics with HyperChem

I   [top]

I2tif
Entered: Fri Nov 7 9:17:30 NFT 1997
Operating systems: Unix, Irix, OSF1, Linux, VMS.
Distribution: Free
Application fields: Graphics, visualization, virtual reality.
Description: Mar image file to tiff converter.
References:
ftp://ftp.mrc-lmb.cam.ac.uk/pub/jyl/i2tif-4.0.tar.gz
I3D
Entered: Tue Jan 7 11:19:37 NFT 1997
Operating systems: .
Application fields: Graphics, visualization, virtual reality.
Description: A VRML Browser for Engineering
References:
Latest about i3D
IFO
Entered: Tue Nov 28 15:51:27 NFT 2000
Operating systems: Windows.
Type: Binary.
Languages: C++.
Distribution: Free academic
Application fields: Materials Science.
Bibliography: J.Appl.Cryst. 31 (1998) 609
Description: Program for Image-Reconstruction-Type Calculation of Atomic Distribution Functions; supplement to RAD.
References:
http://www.pa.msu.edu/~petkov/software.html
IGOR Pro
Entered: Thu Dec 28 8:27:40 NFT 2006
Operating SystemsMacOS, Windows
Distribution: Commercial
Application fields: Neutron scattering
Bibliography:
JAC (2006) 39, 6, 695
Description: Reduction and analysis of small-angle neutron scattering (SANS) and ultra-small-angle neutron scattering (USANS) data with graphical interface.
References: http://www.wavemetrics.com/
IL MILIONE
Entered: Thu Jun 06 8:27:40 NFT 2007
Distribution: Free for Academic Use
Application fields: Protein Structure Determination
Bibliography:
J.A.C., 2007, 40, 3, pp609-613
Description: Suite of computer programs devoted to protein crystal structure determination by X-ray crystallography: (a) Ab initio phasing, via Patterson or direct methods. (b) Single or multiple isomorphous replacement, single- or multiple-wavelength anomalous diffraction, and single or multiple isomorphous replacement with anomalous scattering techniques. c) Molecular replacement.
References: http://www.ic.cnr.it/
ILL Diffraction group
Entered: Fri Nov 22 8:27:40 NFT 1996
Distribution: Free
Application fields: Minerals, Biology, Diffraction, Scattering, Materials Science, Chemistry, Structure determination.
Description: software distribution: Lazy, xplored, mountmo, xtal-3d, etc...
References:
ftp://ftp.ill.fr/pub/dif
INDEXINP
Entered: Fri Nov 22 8:27:40 NFT 1996
Distribution:
Application fields: Chemistry, Minerals, Powder.
Description: Automatic generation of indexing input files, see CCP14
References:
CCP14 Program Suite
INTLDM
Entered: Wed Sep 2 16:01:48 DFT 1998
Operating systems: Unix.
Type: Source.
Languages: Fortran.
Distribution: Free academic
Application fields: Diffraction.
Bibliography: J. Appl. Cryst. (1998) 31, 496-502
Description: Stand alone version of LAUEGEN to carry out the stages of processing Laue diffraction spots up to and including the integration of spot intensities.
References:
http://www.dl.ac.uk/SRS/PX/jwc_laue/intldm.html
ISIS/Draw
Entered: Fri Nov 22 8:27:41 NFT 1996
Operating systems: Windows, MacOS.
Distribution: Free academic
Description: Chemical structure drawing program.
References:
WELCOME TO MDL
ISODISPLACE
Entered: Thu Dec 26 9:59:17 NFT 2006
Operating systems: Windows, Unix, MacOS Distribution: Free
Application fields: structure determination, visualization
Bibliography: JAC (2006), 39,4, 607
Description: Internet tool for exploring the structural distortion modes of crystalline materials. Provides a GUI to several packages within the ISOTROPY software suite, generates distortion modes induced by irreducible representations of the parent spacegroup symmetry, and also provides an interactive Java applet for visualizing and interactively manipulating the free parameters of each mode.
References: http://stokes.byu.edu/isodisplace.html
ISOTROPY
Entered: Thu Nov 2 9:59:17 NFT 2000
Operating systems: Windows, Linux, .
Distribution: Free
Application fields: Topology, symmetry.
Description: Applies group theoretical methods to the analysis of crystal symmetry, calculates the displacement modes in a crystal which brings the dynamical matrix to block-diagonal form, finds the space-group symmetry of a crystal,handles situations where there is uncertainty in the lattice parameters. Also directly usable on the Internet.
References:
http://physics.byu.edu/~stokesh/isotropy.html
ITO
Entered: Fri Nov 22 8:27:41 NFT 1996
Distribution: Free
Application fields: Chemistry, Minerals, Powder.
Description: Indexing, see CCP14
References:
CCP14 Program Suite
IUMSC Java graphics
Entered: Mon Jan 6 13:31:39 NFT 1997
Operating systems: Windows, Unix, MacOS, VMS.
Distribution: Free
Description: Java graphic demonstration for crystallography from IUMSC
References:
IUMSC database lookup page
IVTON
Entered: Fri Nov 22 8:27:41 NFT 1996
Distribution: Free
Application fields: Structure determination.
Bibliography: http://www.iucr.org/journals/jac
Description: Calculates geometrical parameters of crystal structures.
References:
mailto:tonci@geo.geol.ku.dk
IceX
Entered: Mon May 22 8:24:56 DFT 2000
Operating systems: Windows.
Type: Source.
Application fields: Instrumentation.
Description: Menu-driven program to operate a two-circle diffractometer from a PC using parallel port for stepper motor driving and serial port for counter communication. The commands allow the user to control the diffractometer and collect the data. The program is supported by a data analysis program, IcePLOT which is especially written for the analysis of arm-zero measurements during a line-up.
References:
http://www.imal.hacettepe.edu.tr/ugrades/icex.htm
Image
Entered: Mon Jan 6 13:38:46 NFT 1997
Operating systems: MacOS.
Distribution: Free
Application fields: Graphics, visualization, virtual reality.
Description: NIH public domain image processing and analysis program
References:
NIH Image Home Page
Image Processing resources Foothill College USA
Entered: Fri Feb 21 19:14:36 NFT 1997
Operating systems: .
Application fields: Graphics, visualization, virtual reality.
Description: This list of imaging processing resources is maintained by the
References:
Image Processing Resources
ImageTool
Entered: Fri Jan 10 9:16:51 NFT 1997
Operating systems: Windows.
Type: Binary.
Distribution: Free
Application fields: Graphics, visualization, virtual reality.
Description: UTHSCSA ImageTool (IT) is a free image processing and analysis
References:
ImageTool
ImgLab
Entered: Fri Jan 17 8:33:20 NFT 1997
Operating systems: Irix.
Type: Binary.
Distribution: Free
Application fields: Graphics, visualization, virtual reality.
Description: * 2D and 3D image processing optimized for SGI workstations * graphical network editor allows to solve complex image processing tasks by networks of simple operators * 2D image display with image and pixel information and animation for image sequences * 3D volume renderer with hardware acceleration (especially on systems with texture memory) * image data is processed on demand only * processing of tiled images to reduce memory requirements * parallel processing of image tiles on multi processor systems * online extensible with operators and file formats using shared libraries
References:
ftp://ftp.mevis.uni-bremen.de/pub/local/ilab/imglab/bin/imglab212.tardist , ImgLab
IndED
Entered: Mon Sep 23 12:03:20 NFT 2002
Operating systems: MacOS.
Type: Binary.
Distribution: Commercial
Application fields: Electron microscopy.
Description: Tool for indexing the electron diffraction patters. For given lattice parameters, it calculates the most possible set of all symmetrically equivalent zones. It consists of two sub programs. IndEDr: For known lattice and unknown hkl, it calculates the possible zones using the ratio and the angle between the reciprocal points. IndEDhkl: For known lattice and pair of hkl types, it calculates all possible type of zones and angles which could readyly be transferred on the stereographic (Wulff) net.
References:
homepage.mac.com/benyam/
Institute_Pasteur_database
Entered: Wed Feb 9 19:33:40 NFT 2000
Operating systems: Unix.
Application fields: Biology.
Description: Institute Pasteur database for software and URLs of interest
References:
http://www.pasteur.fr/cgi-bin/biology/bnb_s.pl?english=1&bool=et&bio=molecular+modelling,+cristallography&rsc=online+analysis+tools&rsc=software
Interactive Crystallography
Entered: Fri Nov 22 8:27:40 NFT 1996
Operating systems: Windows, MacOS, Unix.
Distribution: Free
Application fields: Topology, symmetry, Materials Science.
Description: Allows the user to choose from
References:
Interactive Crystallography
Interprobe
Entered: Fri Nov 22 8:27:41 NFT 1996
Distribution: Commercial
Application fields: Chemistry.
Description: Software for the handling of chemical structures
References:
http://interchem.chem.strath.ac.uk/inter/interprobe.html

J   [top]

JECP/ED
Entered: Fri Jun 6 8:27:41 NFT 2003
Distribution: Free
Application fields: Electron Microscopy.
Operating systems: Windows.
Type: Source.
Languages: Java.
Bibliography: J. Appl. Cryst. (2003) 36, 3, 956
Description:Simulation of selected-area and precession electron diffraction patterns
References:
http://www.unl.edu/CMRAcfem/XZLI/programs.htm
JSV
Entered: Tue Jan 7 16:11:00 NFT 2003
Operating systems: Unix.
Type: Source.
Languages: Java.
Distribution: Free
Application fields: Diffraction.
Bibliography: J. Appl. Cryst. (1999) 32, 5, 1027-1028
Description: Version 1.07. Structure Viewer. Accepts input data for asymmetric unit cell, full unit cell or cartesian coordinates for all spacegroup symmetries. Measuring distances and angles, periodic table for radius and atom color settings. Output PostSript, VRML, GIF JPG. Includes also X-ray intensity calculations and a special reciprocal space viewer for viewing 3D/2D diffraction patterns. Real time rotations are possible for 3D mode, precession mode and Laue mode. Furthermore it includes an improved version of STEREOGRAM software. The Wulff net may be zoomed and dragged. Besides poles (hkl) it can plot zone axes [uvw] and produce PostScript output. Needs the java interpreter JDK1.2 (http://www.javasoft.com) to run it.
References:
http://www.jcrystal.com/steffenweber/
Jalview
Entered: Mon Apr 23 10:17:49 DFT 2001
Operating systems: Unix, Windows.
Languages: Java.
Distribution: Free
Application fields: Biology.
Description: Multiple alignment editor
References:
http://www.ebi.ac.uk/~michele/jalview/
Jana2000
Entered: Tue May 22 17:28:50 DFT 2001
Operating systems: Unix, Windows.
Type: Source, Binary.
Languages: Fortran.
Distribution: Free
Application fields: Structure determination.
Bibliography: J. Appl. Cryst. (2001). 34, 398-404
Description: Crystallographic computing system for standard, modulated and composite structures.
References:
http://www-xray.fzu.cz/jana/jana.html
Jap3D
Entered: Tue Jan 7 16:11:00 NFT 2003
Operating systems: Unix.
Type: Source.
Languages: Java, VRML.
Distribution: Free
Bibliography: J. Appl. Cryst. (1999), 32, 5, 1028
Description: Rendering electron density data into three-dimensional isosurfaces. Electron density data have to be provided in a simple ASCII format or in binary format.
References:
http://www.jcrystal.com/steffenweber/
Jas
Entered: Tue Nov 4 8:34:05 NFT 1997
Operating systems: Windows, .
Type: Binary.
Languages: Tcl/Tk.
Distribution: Free
Application fields: Graphics, visualization, virtual reality.
Description: Image contrast enhancement using extended adaptive histogram equalisation. INTEREST AREAS: * General image processing algorithms * Biomedical image processing, image display, radiography * Photography, image manipulation, and recreation
References:
http://www2.eng.cam.ac.uk/~jas/enhance/main.html
Java Lattice Tool
Entered: Mon Jan 6 13:32:05 NFT 1997
Operating systems: Unix.
Application fields: Graphics, visualization, virtual reality, Biology.
Description: Interactive macromolecular graphics
References:
UBC Protein Crystallography
Java Stereograms
Entered: Tue Jan 7 16:15:00 NFT 2003
Operating systems: Unix, MacOS, Windows.
Type: Source.
Languages: Java.
Distribution: Free
Application fields: Topology, symmetry, Teaching.
Description: Java Stereograms plots stereographic projections of poles onto a Wulff net. The pole distribution is determined by the given unit cell parameters. It is possible to give restraints to the number of generated poles by editing the values for the "maximum order" (maximum value of an index hkl) and the range of interplanar spacings "d" (dmin-dmax). For indexing the poles in the stereographic hemisphere simply click at them. The angles Rho and Phi corespond to rotations of the whole set on the Wulff net (always from zero position).
References:
http://www.jcrystal.com/steffenweber/
JoinMap
Entered: Tue Jan 7 11:18:54 NFT 1997
Operating systems: Windows, MacOS, VMS, Solaris.
Distribution: Commercial
Application fields: Biology.
Description: Software package for the construction of genetic
References:
Genetic Mapping Software of CPRO-DLO
Jcrystal
Entered:Tue Jan 7 15:05:00 NFT 2003
Type: Binary
Distribution: Commercial
language:Java
Description: a computer program for creating, editing, displaying and deploying crystal shapes.
References:
http://www.jcrystal.com/
Jitax77
Entered: Thu Apr 3 10:05:00 NFT 2003
Type: Source
Languages: Fortran
Distribution: Free
Description: Conversion of CCD frame data from TIFF format to Photonic Science FLF format.
References: Europe:
http://www.ccp14.ac.uk/ccp/web-mirrors/stanley_nyburg/
http://ccp14.sims.nrc.ca/ccp/web-mirrors/stanley_nyburg/
USA: http://ccp14.semo.edu/ccp/web-mirrors/stanley_nyburg/
AU: http://ccp14.minerals.csiro.au/ccp/web-mirrors/stanley_nyburg/

K   [top]

KCrystal
Entered: Wes Sep 1 14:05:00 NFT 2005
Operating systems: Linux
Type: Source, Binary.
Distribution: Free
Application fields: Powder, Mineralogy
Bibliography:
J. Appl. Cryst. 38, 4, 706 (2005)
Description: Linux `live-CD' (a Linux system running from a bootable CD) that contains a collection of the main software (free distribution) used in the Rietveld method.
References: http://labcacc.iq.unesp.br/kcristal, http://www.ccp14.ac.uk/ccp/web-mirrors/kcristal
KOQUA2
Entered: Tue Jan 7 16:05:00 NFT 2003
Type: Binary.
Distribution: Free
Application fields: Graphics, visualization, virtual reality, Electron microscopy, Diffraction.
Bibliography: http://www.iucr.org/journals/jac
Description: A program for simulating divergent-beam diffraction pattern for crystals and quasicrystals. J. Appl. Cryst. (1997), 30, 85-86
References:
http://www.jcrystal.com/steffenweber/
KUPLOT
Entered: Fri Jul 23 9:40:10 DFT 1999
Operating systems: HPUX, Irix, OSF1, Linux, VMS, .
Type: Source.
Languages: Fortran, C.
Application fields: Graphics, visualization, virtual reality.
Description: Interactive plotting program controlled by a command language. KUPLOT is part of the diffuse scattering simulation package DISCUS, however it can be used totally independent of the DISCUS software.
References:
http://www.uni-wuerzburg.de/mineralogie/crystal/discus/kuplot.html
K_Space Navigator
Entered: Mon Jan 20 9:31:34 NFT 1997
Operating systems: Windows.
Languages: C++.
Distribution: Commercial
Application fields: Electron microscopy.
Description: K_Space allows the user to identify a crystal zone axes directly
References:
K_Space
Khoros
Entered: Thu Jan 6 12:48:18 NFT 2000
Operating systems: HPUX, Irix, Solaris, OSF1, Linux.
Type: Binary.
Distribution: Commercial
Application fields: Graphics, visualization, virtual reality.
Description: Image processing and visualization system. Build your own application using a flexible User Configuration Preferences, streaming Data Services and Operators, visual Workspace Compilers, installation, Packaging, and Build System. User Friendly Code Generation Paradigm. Online Manuals and Automated Migration.
References:
http://www.khoral.com/core.html
Kintecus
Entered: Mon Apr 30 11:10:46 DFT 2001
Operating systems: Windows.
Type: Binary.
Distribution: Shareware
Application fields: Chemistry.
Description: To model the reactions of chemical, biological, nuclear and atmospheric processes using two input spreadsheet files: a reaction spreadsheet and a species description spreadsheet. Has been designed with ease of use in mind. In the new version ability to run Chemkin/Senkin models without programming or compiling. Support for Excel and Lotus spreadsheet programs. Other chemistry programs available.
References:
http://www.ccl.net/cca/software/MS-WIN95-NT/kintecus/index.shtml
Koalariet
Entered: Tue Feb 3 9:41:10 NFT 1998
Operating systems: Windows.
Type: Binary.
Languages: C++.
Distribution: Free
Application fields: Minerals, Powder.
Description: Rietveld program.Modeling of peaks using the approach described by Coehlo and Cheary.
References:
ftp://ftp.minerals.csiro.au/pub/xtallography/koalariet/
Kriber
Entered: Mon Sep 28 11:20:14 DFT 1998
Operating systems: VMS.
Type: Source, Binary.
Languages: C.
Distribution: Free
Application fields: Structure determination.
Description: Interactive program to calculate distances and angles, generate input files for the program DLS-76 and for the program LOADAT of the X-Ray Rietveld System XRS-82, and calculate coordination sequences and loop configurations.
References:
http://www.kristall.ethz.ch/LFK/software/kriber/

[Top]


Copyright IUCr and UPMC, Paris, France, Please send your comments and your suggestions to Yves Epelboin,Yves.Epelboin@lmcp.jussieu.fr