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GRASP
Honig Webserver Redirect
http://trantor.bioc.columbia.edu/grasp/
Display molecules and molecular surfaces, optionally representing a field (for example electrostatic ) as local colors. Silicon Graphics (IRIX) platform.
honiglab, bottom, trantor, webserver, redirect, longer, bookmark, change, please
columbia.edu - rank der domain 3642 (1385 in US)
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PROCHECK
PROCHECK home page
http://www.biochem.ucl.ac.uk/~roman/procheck/procheck.html
Protein structure validation program. Unix platform.
procheck, screen, frames, inline, height, download, confidentiality, agreement, viewed, details, pdb sum, actual, display, content, residue, manual, structure, contact, source, quality, relative, mypag e, myname, leftposition, scroll, position, contentsarea, contents, configured, header, currently, su pport, topposition, settings, browser, clause, upload, strike, agreement, return, academic, modified , january, including, analyses, generated, option, generate, scrollbars, protein, function
(SLD : ac.uk)
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Uppsala Software Factory
USF - Uppsala Software Factory
http://alpha2.bmc.uu.se/~gerard/manuals/
Software for macromolecular crystallography and structural biology. Many of these programs collabora te with "O" (see there).
Manuals for Gerard Kleywegt's programs and access to Uppsala Software Factory WWW services and rela ted information
manuals software Gerard Kleywegt program Uppsala Software Factory structural biology O protein X-r ay crystallography macromolecular
through, navigate, browser, frames, factory, software, uppsala, designed, capable
uu.se - rank der domain 28200 (129 in SE)
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Science/Physics/Crystallography/Software
Science/Physics/Crystallography/Software
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SnB
SnB Home Page
http://www.hwi.buffalo.edu/SnB/
A computer program based on Shake-and-Bake, a dual-space direct-methods procedure for determining cr ystal structures from X-ray diffraction data.
structures, substructure, solved, applications, available, protein, structure, interface, resolution , program, diffraction, containing, running, macintosh, computers, determination, package, addition, platforms, editing, facilities, molecule, visualization, algorithm, conveniently, throughput, varie ty, faster, processors, parallel, multiple, components, references, tutorial, obtain, executable, pa tches, announcements, download, thereby, creating, computer, phases, appropriate, phasing, automated , pipeline, density, electron, intensity, unambiguous
buffalo.edu - rank der domain 12412 (4665 in US)
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Crystal Studio
Crystal Studio Crystallography Software for Crystal and Molecule Structures
http://www.crystalsoftcorp.com/CrystalStudio/
Display and manipulation of crystal structures and simulation of diffraction patterns. Windows platf orm.
List powerful features of Crystal Studio, a software for practical crystallography.
Crystal Structure, Crystallography, Crystal, Diffraction, X-Ray Diffraction, Electron Diffraction, S oftware
crystal, molecule, structures, software, studio, crystallography
(SLD : crystalsoftcorp.com)
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Jana2006
Jana - Crystallographic Computing System
http://www-xray.fzu.cz/jana/jana.html
System for solving and refinement of regular, modulated and composite structures from monocrystal an d powder diffraction data.
jana2006, installation, structures, jana2000, windows, version, janainst, workshop, border, backgrou nd, directory, available, download, workshops, program, padding, program, installation, diffraction, registration, powder, system, development, topics, obtained, height, variable, preferences, version s, download, workshop, refinement, environment, registration, margin, repeat, flipping, magnetic, cr ystal, single, defining, jana2000pack, republic, status, october, passed, changed, modulated, soluti on, contains, structure
fzu.cz - rank der domain 958036 (5760 in CZ)
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Diamond - Visual Crystal Structure Information System
Diamond - Crystal and Molecular Structure Visualization
http://www.crystalimpact.com/diamond
An MS Windows application for the exploration and drawing of crystal structures.
diamond, version, crystal, released, maintenance, version, release, available, molecular, structure, functions, crystal, structural, several, structure, molecular, visualization, charge, nankai, effor ts, chinese, tutorial, become, thanks, update, upcoming, preview, preview, detailed, features, impro ved, contains, improvements, archive, modified, rights, reserved, contact, webmaster, impact, copyri ght, america, europe, dealing, deuterium, handling, windows, systems, outside, especially, character
(SLD : crystalimpact.com)
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PLATON
THE PLATON HOMEPAGE
http://www.cryst.chem.uu.nl/platon/
A versatile crystallographic program implementing a large variety of standard geometrical calculatio ns, tests, utilities, graphics and several filters. Unix and Windows platforms.
platon, manual, molecular, pluton, utrecht, graphics, homepage, symmetry, netherlands, information, started, correction, squeeze, introduction, related, addsym, absorption, general, within, geometry, questions, available, homepage, version, university, system, button, crystallographic, program, cont our, mulabs, publication, report, delabs, techniques, display, shortcuts, newman, closer, homepage, lepage, managing, meulenaer, datareduction, helena, averaging, display, supervisor, fourier, contour , change
uu.nl - rank der domain 33198 (439 in NL)
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Science/Physics/Crystallography/Software
Science/Physics/Crystallography/Software
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HKL
Welcome to HKL Research, Inc.
http://www.hkl-xray.com/
The triad of Denzo, XDisplayF and Scalepack: programs to visualize and interpret x-ray diffraction i mages.
browser, friendly, document, frames, version, standard, netscape, communications, gotten, capable, c hallenged, designed, research, viewed, message, seeing, welcome
(SLD : hkl-xray.com)
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CrystalDesigner
CrystalDesigner home page
http://www.crystaldesigner.no/
Tool for building, studying and visualizing all kinds of crystal structures. MacOS platform.
crystaldesigner, introduction, features, system, macintosh, operating, tutorial, contents, download, information, updated, contact, crystal, program, building, studying, visualising, computer, welcome , developed, structure, design, crystal, structures, software
(SLD : crystaldesigner.no)
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Crystals
Chemical Crystallography Oxford: Crystals
http://www.xtl.ox.ac.uk/crystals.html
The software package for single crystal X-ray structure refinement and analysis consists of CRYSTALS , Cameron and specially recompiled versions of SIR92 and SHELXS.
Crystals is a single crystal X-raystructure analysis software suite maintained by researchers in the Chemical Crystallography Laboratory in Oxford and through collaboration with other groups around the world.
Crystals, Cameron, crystallographysoftware, small molecule, refinement, chemical, X-ray, Xray, least squares, analysis, thermal ellipsoid plot, adp, graphical, absorptioncorrection, data reduction, par ameters, atom placement, constraints,restraints, disorder, twinning, weighting scheme, Fourier map, cif, RC93,DIPIN, CSD2CRY, SXtoCRY, CIF2CRY, Oxford
crystals, crystals, available, version, refinement, structure, oxford, provide, should, provided, hy drogen, scripts, cameron, output, improved, software, analysis, version, shelxs, format, superflip, reflection, expert, giving, graphical, graphics, import, building, standard, problems, copyright, do wnload, included, latest, prepares, sources, nvidia, thompson, diffractometer, various, converts, ma king, crystallography, website, distributed, script, structures, watkin, crystallographic, windows, decision
(SLD : ac.uk)
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AutoDock
AutoDock — AutoDock
http://www.scripps.edu/pub/olson-web/doc/autodock/
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.
AutoDock web site
Automated Docking
autodock, docking, community, protein, methods, ligand, around, constants, autodocktools, complexes, flexible, inhibition, project, quality, earlier, developed, dockings, design, macromolecule, willia m, research, between, features, downloads, distributed, research, search, allows, sidechains, inform ation, algorithm, genetic, before, blindingly, institute, library, optimization, source, general, pu blic, software, versions, faster, license, scripps, contact, discriminate, enough, larger, diverse, separate
scripps.edu - rank der domain 79048 (30122 in US)
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CCP14 - Collaborative Computational Project Number 14
CCP14 Homepage - Single Crystal and Powder Diffraction - Freely Available Crystallographic Software for Academia
http://www.ccp14.ac.uk
Freely available crystallographic software for single crystal and powder diffraction.
crystallography, diffraction, powder,single,crystal, software, crystallographic
attach, sample, border, background, ffffff, padding, pointer, attach2, parent, ffffee, decoration, d ynamic, bottom, homepage, dynamicdrive, crystallographic, weight, display, crystallography, service, databases, websites, collaborative, computational, projects, listings, methods, solution, tutorials , contact, urchintracker, 1611412, national, downloads, crysfire, repository, fullprof, 222222, acad emia, position, visibility, absolute, software, available, crystal, single, homepage, powder, freely , diffraction, hidden
(SLD : ac.uk)
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SPEC / Certified Scientific Software
CSS / : Certified Scientific Software.
http://www.certif.com/
A UNIX-based software package for instrument control and data acquisition used for X-ray diffraction laboratories.
selected, scientific, manual, decoration, certified, software, software, scientists, control, instru ment, acquisition, document, manual, hardware, hardware, available, release, current, latest, update , platforms, unlike, experiments, valuable, functionality, reflect, features, configurations, suppor ts, numerous, preparation, figures, publication, analysis, through, rights, reserved, november, prog rams, documented, backed, domain, public, committed, support, package, together, analysis, graphics, included, separately
(SLD : certif.com)
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ESPOIR
ESPOIR Homepage
http://www.cristal.org/sdpd/espoir/
Open source software for solving crystal structures from powder diffraction data (or single crystal data) by Monte Carlo methods.
powder, espoir, either, structure, crystal, program, molecule, espoir, determination, location, diff ractometry, random, chance, annealing, initio, simulated, scratch, extracted, pseudo, published, met hods, lemans, diffraction, available, fitting, single, independent, version, introduction, starting, analysis, references, coming, regenerated, pattern, depends, dealing, however, something, function, english, french, presented, proceedings, barcelona, innovation, espoir, unique, preprint, lanthanum , tetratungstate
(SLD : cristal.org)
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UMWEG and PSILAM
Elisabeth Rossmanith
http://www.rrz.uni-hamburg.de/mpi/rossmanith/frame.html
Programs for calculation and graphical representation of multiple diffraction patterns.
personal homepage of Elisabeth Rossmanith
research interests Renningereffekt
rossmanith, elisabeth, change, publications, thursday, psilam, projects, hamburg, mineralogie, retir ed, picture, passport, research
uni-hamburg.de - rank der domain 17564 (870 in DE)
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WinGX
WinGX Program System
http://www.chem.gla.ac.uk/~louis/software/wingx
System of programs for solving, refining and analysing single crystal X-ray diffraction data for sma ll molecules. Provides a consistent and user-friendly GUI for some of the best publicly-available cr ystallographic programs. Interfaces to other popular programs such as SHELXL-97 and SIR-97.
programs, available, glasgow, farrugia, sirware, program, provided, commercial, registered, system, package, reference, suitable, program, available, version, release, worldwide, sources, 5137fax, tel ephone, software, university, building, responsibility, disclaimer, register, appropriate, chemistry , joseph, department, restrictions, author, report, interfaces, popular, crystallographic, publicall y, contains, following, format, friendly, refining, analysing, single, solving, system, windows, cry stal, molecules, provides
(SLD : ac.uk)
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ARITVE
ARITVE software
http://www.cristal.org/aritve.html
Modelling amorphous structures by a Rietveld-type refinement of the atomic coordinates. Windows 9x/N T platform.
aritve, pattern, rietveld, parameters, windows, microstrain, source, refined, structure, selected, s oftware, simultaneously, interference, functions, fitted, intensity, points, diffracting, overlappin g, cristal, updated, december, version, license, fortran, public, messiaen, current, simplifying, pr ograms, gathered, france, limits, cycles, minutes, refinement, eacute, universit, pentium, laboratoi re, 333mhz, executing, dmplot, easily, fortran, versions, fluorures, sample, contain, specific, view ers
(SLD : cristal.org)
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CAOS
crystal analysis operating system
http://www.ccp14.ac.uk/ccp/web-mirrors/caos/isc/caos/
A crystallographic package for crystal structure determination from single crystal diffraction data.
operating, system, analysis, italian, patent, crystal, visited, decoration
(SLD : ac.uk)
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TOPXD
TOPXD main page
http://harker.chem.buffalo.edu/public/topxd/
Topological analysis program for experimental static electron density based on Hansen-Coppens multip ole formalism.
browser, support, frames
buffalo.edu - rank der domain 12412 (4665 in US)
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EUHEDRAL
EUHEDRAL
http://www.crystal.chem.uu.nl/distr/euhedral/
Refinement of crystal shape against the intensities of multiple measured reflections coming from red undant area detector data for an analytical absorption correction. Needs the PLATON package.
crystal, euhedral, version, program, absorption, refinement, correction, should, computer, platon, f ilter, refinements, strategy, crystal, subfile, command, available, reflections, chosen, please, ini tial, developed, prompt, starting, download, weight, analytical, obtained, typing, window, several, systems, information, september, commands, display, description, determines, ported, volume, directo ry, indexed, possible, higher, august, reliability, dimensions, initial, individual, gfortran, bestn eedle
uu.nl - rank der domain 33198 (439 in NL)
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SHELX-97
SHELX Program Page
http://shelx.uni-ac.gwdg.de/SHELX/
Set of programs for crystal structure determination from single-crystal diffraction data. Runs on al l systems including DOS.
should, programs, shelxl, program, refinement, structure, version, format, resolution, shelxd, shelx e, number, contains, parameters, shelxc, subdirectory, restraints, shelxpro, values, shelxs, directo ry, phasing, parameter, necessary, solution, because, systems, memory, executables, native, matrix, computer, shelxl, required, methods, example, versions, provided, shelxh, information, current, macr omolecular, compiled, structures, rather, specified, possible, intensities, available, windows, cift ab
gwdg.de - rank der domain 126527 (6753 in DE)
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Amira
Amira - Visualize Analyze Present
http://www.amiravis.com/
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 gener ate surface models (e.g. VRML) from 3D image data.
Amira - visualizing, manipulating, and understanding Life Science and bio-medical data coming from a ll types of sources and modalities.
software,visualization,data analysis,3D,Life Science,biomedical
imaging, visage, tooltip, plugins, system, jceutilities, params, flashvars, latest, attributes, imag es, window, neuroscience, powerful, coding, customization, extension, technical, wizard, easily, int erface, documentation, effective, intuitive, graphics, processors, multiple, options, support, acces sible, specific, readers, flexible, license, models, handling, extensible, updated, winterschool, re cent, advances, archive, policyterms, privacy, useimprint, llactid, reserved, rights, copyright, sym posium, during
(SLD : amiravis.com)
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FOX
FoxWiki - FOX, Free Objects for Crystallography Wiki
http://objcryst.sourceforge.net/Fox/
A free, open-source program for the global optimization of crystal structures from powder diffractio n data.
structure, powder, crystal, crystal, development, diffraction, compiling, algorithms, optimization, pattern, initio, positions, polyhedra, requests, windows, structures, program, special, described, b iblio, changing, tutorials, global, crystallography, interesting, current, manual, download, combina tion, describe, angles, possible, between, available, structures, versatile, foxwiki, determination, criterion, solved, objects, objcryst, spacegroup, getting, contents, modify, changelog, display, sp ectrum, choose, edited
sourceforge.net - rank der domain 156 (74 in US)
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Endeavour
Endeavour - Structure Solution from Powder Diffraction
http://www.crystalimpact.com/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 diffrac tion pattern and of the potential energy of the system.
endeavour, diffraction, solution, structure, maintenance, release, released, available, diffraction, version, structure, crystal, powder, solution, software, background, spanish, combined, energy, dir ect, potential, structures, manual, quickstart, electron, combined, jansen, schoen, crystallography, applied, journal, additional, system, observed, difference, between, calculated, method, details, m ethod, scientific, scientific, methods, sensitive, quality, published, several, missing, improvement s, regard, santiago
(SLD : crystalimpact.com)
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RAD, FIT, PEDX, IFO
http://www.pa.msu.edu/~petkov/software.html
RAD - program for analysis of X-ray diffraction data from amorphous materials. FIT - program for dec omposition 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.
petkov, upgraded, program, diffraction, analysis, materials, software, disclaimer, additional, pleas e, information, expresses, warranty, assumes, liability, responsibility, educational, scientific, pu rposes, author, neither, freely, powder, decmposition, computer, patterns, profile, functions, corre lation, personal, amorphous, computers, reconstruction, calculation, atomic, disordered, functions, distribution, program, distribution, radial, function, energy, disordered, dispersive, materials
msu.edu - rank der domain 6262 (2323 in US)
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GSAS
GSAS Notes
http://www.ncnr.nist.gov/programs/crystallography/software/gsas.html
Set of programs for the processing and analysis of both single crystal and powder diffraction data.
crystallography, Rietveld, diffraction, GSAS, EXPGUI
expgui, manual, software, public, mirror, expgui, alamos, dreele, version, laboratory, national, gov ernment, recent, tutorials, university, versions, computers, report, should, larson, california, win dows, gsasmanual, readme, tutorial, information, installation, instructions, system, analysis, docum entation, structure, single, package, general, robert, mathematical, responsibility, diffraction, wr itten, problems, running, substr, systems, decoration, support, intended, number, examples, answers, questions
nist.gov - rank der domain 13360 (5017 in US)
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Datasqueeze Software
Datasqueeze Software
http://www.datasqueezesoftware.com
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.
X-ray two-dimensional false-color line plot contour Bruker SMART BIS/PROTEUM Rigaku Raxis Roper Prin ceton DIP Nonius MAR ADSC Fuji Gatan Ditabis Siemens ESRF Molecular Metrology XDR graphics graphic al Java Linux Windows Macintosh OSX OS-X image manipulation synchrotron diffraction scattering small -angle SAXS least-squares Poisson noise statistics Porod Guinier pole figure powder Yarusso-Cooper P ercus-Yevick Gaussian Lorentzian Cylinder Rod Disk Ellipsoid
datasqueeze, diffraction, analysis, polymers, software, interface, scattering, improved, expanded, i nstallation, corrected, relating, solutions, colloids, features, models, available, version, squares , possible, updated, scattering, comments, collected, images, analyze, detector, rotated, orientatio n, crystals, detectors, details, windows, running, manual, privacy, graphical, download, screen, sta tement, analyzing, technical, macintosh, useful, particularly, welcome, powder, diffuse, liquid, pur chase, simple
(SLD : datasqueezesoftware.com)
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Xtal
Homepage of the Gnu Xtal System
http://xtal.sourceforge.net/
A package of over sixty programs for calculations ranging from the reduction of raw diffraction inte nsities, 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 cont ains interactive graphics tools and is available as execution modules for most common platforms.
navigation, system, homepage
sourceforge.net - rank der domain 156 (74 in US)
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TOPOS
Main Page
http://www.topos.ssu.samara.ru/
A program package for multipurpose geometrical and topological analysis of crystal structures. It wo rks with crystal structure databases.
TOPOS is a program package for multipurpose geometrical and topological analysis of crystal struct ures.
crystal, crystal chemistry, crystal structure, geometrical analysis, topological analysis, compute r program, Voronoi, Dirichlet, polyhedron, molecular interaction, coordination number, atomic volu me, atomic size, classification, systematics, description, void, supramolecular chemistry
buttons, macromedia, shockwave, download, version, swflash, runcontent, codebase, height, version, s hockwaveflash, quality, pluginspage, expires, domain, secure, authors, programs, versions, caution, escape, package, multipurpose, geometrical, program, gettime, settime, analysis, function, setcookie , togmtstring, structures, curcookie, crystal, length, topological
samara.ru - rank der domain 238026 (9127 in RU)
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ORTEP-III
ORTEP-III
http://www.ornl.gov/sci/ortep/
The Oak Ridge Thermal Ellipsoid Plot (ORTEP) program is a computer program, written in Fortran, for drawing crystal structure illustrations.
laboratory, national, mirror, johnson, carroll, burnett, michael, questions, preprints, problems, su ggestions, presentations, comments, recipient, revised, links2gokey, resource, software, chemistry, australian, latest, available, documentation, online, ellipsoid, thermal, program, crystal, version, illustrations, structure, manual, fortran, programs, helper, disclaimers, crystallographic, notice, sponsorship, citing, cubane, compiled, source, detailed, examples, example, topology
ornl.gov - rank der domain 49099 (18537 in US)
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RPluto
RPluto
http://www.ccdc.cam.ac.uk/free_services/rpluto/
An X-windows tool for visualising molecular crystal structures on UNIX (including Linux) platforms.
CCDC Products
CCDC, CSD, ConQuest, Mercury, IsoStar, Relibase, SuperStar, PreQuest, QUEST, VISTA, enCIFer, RPluto , WebCite
images, newcontent, wincontent, function, toolbar, scrollbars, height, resizable, window, imgname, r pluto, version, navigator, supported, menubar, pagetracker, location, intermolecular, diagrams, supp ort, cambridge, registered, packing, formats, display, molecular, image6off, image7on, image6on, ima ge5off, image7off, image9on, image8off, image8on, image5on, image4off, image2on, image1off, image1on , image2off, image3on, image4on, image3off, appversion, image10on, image9off, imgoff, document, imag e10off, parseint, appname
(SLD : ac.uk)
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SHARP
SHARP/autoSHARP distribution
http://www.globalphasing.com/sharp/
A computer program for refining a model of isomorphous heavy-atom substitution and calculating phase probabilities from it. Irix and Linux platforms.
autosharp, licence, available, issues, software, should, additional, password, existing, request, re sults, server, installation, appreciate, workarounds, patches, modified, upgrades, download, accepte d, necessary, information, requires, discuss, mailing, project, information, comments, submit, alrea dy, inaccurate, standard, benchmarks, subscribe, archives, includes, problems, suggestions, probably , complaints, missing, machines, instructions, detailed, manual, licensing, download, versions, vari ous, complete, documentation
(SLD : globalphasing.com)
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BUSTER-TNT
BUSTER distribution
http://www.globalphasing.com/buster/
A software system for crystallographic structure determination by Bayesian statistical methods. Irix and Linux platforms.
buster, licence, software, download, available, password, existing, additional, installation, should , server, appreciate, information, requires, upgrades, source, missing, request, reminder, already, modified, accepted, included, problems, probably, requesting, suggestions, subscribe, complaints, in formation, comments, archives, phasing, inaccurate, global, distributions, buster, includes, mailing , discuss, results, quickstart, examples, tutorials, instructions, detailed, documentation, homepage , distribution, programs, foreword
(SLD : globalphasing.com)
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PowDLL
Kourkoumelis Webpage
http://users.uoi.gr/nkourkou/
A .NET dynamic link library used for the interconversion procedure between variable formats of Powde r X-Ray files. The DLL is capable of handling 14 file formats (binary and ASCII).
Homesite of PowDLL
PowDLL, Lectures, Tutorials, Powder diffraction
medical, physics, kourkoumelis, powdll, printing, presentations, before, copyright, kinetics, reacti on, please, consider, papers, environment, nkourkou, sciences, ioannina, greece, journal, internatio nal, university, school, applied, chemistry, contact, powder, interconversion, diffraction, lectures , program, webpage, welcome, contains, lasers, radiation, format, radiation, infrared, password, req uire, sections, biophysics, microscopy, optics, biophysical
uoi.gr - rank der domain 120769 (376 in GR)
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DIRDIF
Software
http://www.xtal.sci.ru.nl/dirdif/software/dirdif.html
A computer program system for crystal structure determination by Patterson methods and direct method s applied to difference structure factors.
dirdif, system, program, connecting, beurskens, tutorial, cranswick, lachlan, structure, methods, re sulting, publication, please, inform, implementation, dirdif2008, crystallography, laboratory, nethe rlands, nijmegen, university, software, gelder, granda, garcia, computer, science, example, windows, structures, applied, difference, windows, factors, available, direct, farrugia, implemented, please , introduction, commercial, determination, patterson, availability, charge, crystal, examples
ru.nl - rank der domain 70885 (1014 in NL)
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XPowder
XPowder
http://www.xpowder.com
A program for qualitative (PDF2 data base) and least-square full-profile quantitative analysis of ph ases in crystaline and amorphous powder samples by X-Ray diffraction. Windows platform.
TERRA Philips PW1710 diffractometer XPowder.com... Quantitative and Qualitative Powder X-Ray diffrac tion analysis
TERRA pw1700 pw1712 pw1710 pw17 warren averbach williamson hall x-ray powder diffraction quantitativ e analysis qualitative thermodiffraction mineral cement crystal profile line analysis identification solid state synchrotron
analysis, materials, xpowder, allows, batteries, download, weight, analizer, specifications, mineral , fluorescence, system, designed, specifically, mineral, portable, powder, quality, copies, clipboar d, impression, graphic, distribution, capabilityincludes, recording, diagrams, simultaneously, pw171 0, duplex, diffractometers, portable, control, version, mapping, thermodiffraction, woburn, sylvan, information, systems, reserved, rights, design, areabinaria, innovxsys, during, normal, target, swap ping, consumption, expanded, autonomy
(SLD : xpowder.com)
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ConvX
XRD Conversion Programme
http://www.ccp14.ac.uk/ccp/web-mirrors/convx/
A program for converting between different X-ray powder diffraction file formats. Windows platform.
programme, philips, format, windows95, convert, download, rietveld, fullprof, version, formats, betw een, system, converting, scanpi, convert, programmes, goodbye, called, string, choice, region, selec t, window, output, whether, developed, division, information, regardless, further, minerals, alterna tively, multiple, overwriting, existing, operation, selecting, overwrite, having, except, choose, co nversion, magical, angular, convert, windows, suffix, recent, occasionally, support, writes
(SLD : ac.uk)
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Isodisplace
ISODISPLACE: Interactively exploring structural distortions
http://stokes.byu.edu/isodisplace.html
An interactive tool for generating, visualizing, and manipulating the structural distortion modes of crystalline materials.
isodisplace, crystal structure, phase transition, structural distortion, distortion mode, irrep irre ducible representation, atomic displacements, superspace group
version, isodisplace, applet, distortion, distortions, structure, parent, interactive, structural, e xploring, atomic, amplitudes, isocif, quickly, method, perovskite, example, import, applets, certifi cate, diffraction, parameters, utility, output, utilize, decomposition, distorted, started, structur es, campbell, stokes, provides, allowing, isodiffractapplet, coordinates, changed, easier, powder, c apabilities, transformation, packages, isodisplaceapplet, between, software, crystal, single, neutro n, presented, patterns, everything, feature
byu.edu - rank der domain 9596 (3623 in US)
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LaboTex
LaboSoft
http://www.labosoft.com.pl/
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, mod el calculations). Windows platform.
browser, support, labosoft, frames
(SLD : com.pl)
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Bond Valence Wizard
Bond Valence Wizard software
http://orlov.ch/bondval/
A program for prediction of interatomic distances in crystal structures.
Bond Valence model, software, crystal chemistry, bond length prediction, distance check, Orlov, Popo v, Urusov, calculation, IC UNIL Lausanne
zipped, method, valence, wizard, download, software, authors, lausanne, structure, browser, programs , presentation, window, database, software, number, locally, downloading, download, computer, genera l, simply, desired, select, properly, downloaded, target, cristallographie, dorigny, laboratoire, co mments, appreciated, person, responsible, switzerland, hosting, supported, scientific, visual, scien tificvisual, questions, reports, urusov, applications, through, underlying, principles, message, des cription, stefan, calculations
(SLD : orlov.ch)
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CrystalMaker Software
http://www.crystalmaker.com/
A real-time photo-realistic crystal structures program. Download a demo version, free diffraction so ftware, and QuickTime VR movies. Windows and Mac platform.
crystalmaker.com - rank der domain 972879 (28919 in GB)
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Queen of Spades
Queen of Spades
http://www.mbg.duth.gr/~glykos/Qs.html
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.
Queen of Spades distribution
Nicholas M Glykos, software, Queen of Spades, Qs
program, archive, windows, gunzip, distribution, spades, documentation, gajshost, vmstar, document, compressed, version, pagetracker, reference, instructions, follow, kbytes, practical, application, m ethod, reports, second, unpacking, theoretical, dimensional, describes, problem, unpacked, related, determined, papers, through, closely, directory, readme, reading, subject, security, analytics, goog le, unescape, 3cscript, javascript, 6957389, trackpageview, gettracker, script, described, available , recently, parallel
duth.gr - rank der domain 81654 (280 in GR)
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SNAP Software
PolySNAP and dSNAP
http://www.chem.gla.ac.uk/snap/
Software packages designed to match and analyse powder diffraction patterns utilising their full pro files; dSNAP is a new software package to help users automatically classify and visualise the result s of database searches using the CSD.
PolySNAP and dSNAP - Software for High Throughput Characterisation of Large Data Sets; Powder Diffra ction Pattern Matching and 3D Geometric Data Database Analysis
Cluster Analysis
polysnap, patterns, software, results, datasets, information, different, manual, method, analysis, q uality, online, samples, accurate, mining, designed, automatically, analysed, cluster, provides, sea rch, example, allowing, quickly, worked, mixture, easily, chemical, powerful, methods, structural, f eatures, allows, looking, dataset, between, overview, visualise, introduction, automatic, combined, powerfully, explosion, scheme, weighting, points, melting, efficient, individually, techniques, prob lem
(SLD : ac.uk)
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Powder3D
http://www.fkf.mpg.de/xray/html/powder3d.html
A multi-pattern data reduction and graphical presentation software.
mpg.de - rank der domain 18430 (925 in DE)
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Richardson Lab Web Site: 3D Analysis Software
http://kinemage.biochem.duke.edu/software/
Software and methods source for molecular model visualization, model validation via all-atom contact analysis and utility. Linux, Mac, SGI, Sun, and Windows platforms.
duke.edu - rank der domain 8539 (3244 in US)
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KPLOT
KPLOT Download Area
http://www.crystalimpact.de/download/kplot.htm
Multi-purpose tool for crystal structure visualization and analysis, free download, available for Wi ndows and Linux
crystal, powder, structures, pearson, diamond, diffraction, endeavour, database, identification, rel ease, product, survey, materials, inorganic, compounds, software, solution, products, outstanding, d ownload, molecular, structure, designed, program, visualization, exploration
(SLD : crystalimpact.de)
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Debyer
debyer - Project Hosting on Google Code
http://www.unipress.waw.pl/debyer/
The program takes as an input a file with atom positions and can output X-ray and neutron powder dif fraction pattern, total scattering structure function, pair distribution function and related functi ons.
activity, codesite, repeat, images, gstatic, background, document, project, diffraction, height, deb yer, function, system, atomistic, dropdown, hosting, sprite, google, menuicon, between, people, site tracker, extend, distribution, structure, models, medium, featured, pattern, nowrap, overflow, progr am, projecttracker, setaccount, location, getelementsbytagname, trackpageview, suitable, programs, s ample, configurations, example, extendmodifies, crystal, perfect, calculate, output, related, neutro n, scattering, perhaps
waw.pl - rank der domain 2521 (23 in PL)
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publCIF
(IUCr) publCIF - free software to edit and preview a CIF for publication
http://journals.iucr.org/services/cif/publcif/
Free software to edit and preview a CIF for publication. Windows, Linux and MacOS platforms.
publcif, preprint, publication, download, dictionary, address, syntax, information, download, requir ed, preview, software, simple, requested, addition, completeness, environment, export, employs, chec king, compliance, extensive, specifically, button, program, releases, notify, processing, editorial, number, provides, please, journals, wizards, changes, editable, presented, applied, starting, prepa res, crystallographic, formatted, sections, crystallographica, resulting, customized, standard, prep are, geometry, tables, sheets
iucr.org - rank der domain 227474 (88948 in US)
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NetSci: Software Listing for Crystallography
http://www.netsci.org/Resources/Software/Struct/xray.html
List of crystallography software.
netsci.org - rank der domain 920580 (345135 in US)
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CCP4
CCP4: Software for Macromolecular Crystallography
http://www.ccp4.ac.uk
Comprehensive computing suite for protein crystallography. VMS and Unix platforms.
macromolecular, crystallography, software, homeabout, people, ccp4ccp4, projectsdownloadsdocumentati oncoursesdevelopersccp4, project, collaborative, computational
(SLD : ac.uk)
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Phenix
Phenix
http://www.phenix-online.org/
Software suite for the automated determination of macromolecular structures using X-ray crystallogra phy and other methods.
phenix, consortium, phenix, automated, crystallography, phenix, python, system, structure, download, richardson, neutron, contact, release, through, computational, xtriage, neutron, macromolecular, st ructure, refinement, langan, ligand, refine, documentation, toolbox, terwilliger, afonine, macromole cular, structures, crystallography, solution, laboratory, national, notice, groups, members, securit y, website, details, citation, general, medical, information, sciences, alamos, capability, ioerger, privacy, development, funding
(SLD : phenix-online.org)
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Oscail X
Crystallography Centre
http://www.nuigalway.ie/cryst/software.html
Windows Software for Crystallography and Molecular Modelling from National University of Ireland.
Welcome to the Crystallography Centre
crystallography, centre, research
crystallography, software, centre, oscail, galway, rsaquo, windows, available, pagetracker, software , browser, molecular, javascript, modelling, pictures, programs, document, gajshost, features, quali ty, search, university, system, ireland, compiled, pictures, structures, crystal, molecule, pentium, windows, refine, compiler, optimised, examine, optimising, effective, realistic, movies, rendered, produced, display, rendered, detection, simulation, rasmov, powder, pattern, 859162, setdomainname, nuigalway
nuigalway.ie - rank der domain 114424 (171 in IE)
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Mercury
Mercury
http://www.ccdc.cam.ac.uk/products/mercury/
Offers a comprehensive range of tools for structure visualisation and the exploration of crystal pac king. Free download, available for Windows, AIX, IRIX, Linux and Solaris.
CCDC Products
CCDC, CSD, ConQuest, Mercury, IsoStar, Relibase, SuperStar, PreQuest, QUEST, VISTA, enCIFer, RPluto , WebCite
images, wincontent, newcontent, mercury, function, window, ability, display, resizable, height, scro llbars, toolbar, structures, version, imgname, features, crystal, available, structure, navigator, s upported, location, packing, menubar, pagetracker, planes, contacts, number, between, calculate, hyd rogen, squares, intermolecular, direction, displaying, comprehensive, displacement, ellipsoids, incl ude, cambridge, angles, options, functionality, centroids, image8off, image9on, image8on, image6off, image7on, image9off, image10on
(SLD : ac.uk)
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enCIFer
enCIFer
http://www.ccdc.cam.ac.uk/free_services/encifer/
Intuitive, user-friendly graphical program for CIF checking, editing and visualisation. Windows, Lin ux and Solaris platform.
CCDC Products
CCDC, CSD, ConQuest, Mercury, IsoStar, Relibase, SuperStar, PreQuest, QUEST, VISTA, enCIFer, RPluto , WebCite
images, newcontent, wincontent, function, height, toolbar, scrollbars, resizable, window, encifer, i mgname, information, version, syntax, format, supported, navigator, pagetracker, menubar, location, image4on, location, image3off, individual, image1on, image2off, parseint, addition, looped, cambridg e, structure, visualisation, appversion, deposition, image3on, crystallographic, standard, downloads , image1off, information, image10off, image2on, wizard, crystallography, registered, image8off, imag e9on, appname, image7off, image9off, imgoff
(SLD : ac.uk)
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The Area Diffraction Machine
areadiffractionmachine - Project Hosting on Google Code
http://code.google.com/p/areadiffractionmachine/
The project homepage of the Area Diffraction Machine, an open source program for performing general two dimensional diffraction data analysis.
diffraction, images, activity, program, diffraction, machine, codesite, gstatic, background, repeat, project, document, height, values, calibration, dropdown, hosting, google, menuicon, sprite, perfor m, integration, discussion, featured, nowrap, overflow, people, function, projecttracker, trackpagev iew, powder, calibration, areadiffractionmachine, sitetracker, setaccount, getelementsbytagname, sou rce, location, calibrate, change, greater, intensity, masking, manually, clicking, require, inputted , standard, screen, initial, language
google.com - rank der domain 1 (1 in US)
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CaRIne Crystallography
CaRIne Crystallography Software
http://pagespro-orange.fr/carine.crystallography/
CaRIne is used for teaching crystallography and for research in materials science, chemistry and ear th sciences. It brings real lattices, X-Ray diffraction diagrams, reciprocal lattices and stereograp hic projections all at the same time in a multi-windowed interface.
CaRIne crystallography, CaRIne Crystallographie, crystallography program crystallography, crystallog raphic program crystallographic, crystallography software crystallography, crystallographic software crystallographic, cristallographie logiciel cristallographie, crystal structure visualization, spac e group, bravais, surface, interfaces, grain boudaries, multilayer, stereographic projection, x-ray diffraction, xrd, electronic diffraction, reciprocal lattice, molecular modeling, mineral structures , scientific software for Windows and Linux, materials science, physics, chemistry, mineralogy, geol ogy, oxides, powder diffraction, synchrotron radiation, neutron diffraction, TEM, Transmission Elect ron Microscopy, rietveld refinement, lattice defects, structure determination, solution crystallizat ion, crystal growth, alloy thin film, texture analysis, metallurgy
software, carine, crystallography
pagespro-orange.fr - rank der domain 159326 (5629 in FR)
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Cologne Laue Indexation Program
Cologne Laue Indexation Program
http://clip.berlios.de
Clip is a program for displaying, indexing, fitting and reorienting Laue diffraction data. It could also be used in teaching to simulate and explore Laue patterns. It runs on Windows, Linux and MacOS X.
The Cologne Laue Indexation Program. A tool for analysis of laue exposures.
Clip, Cologne Laue Indexation Program, Laue photograph, Laue exposure, Laue technique, Laue tool, La ue program, physics, crystallography, crystal orientation
indexation, program, software, cologne, modified, python, written, language, program, arbitary, calc ulated, charge, goniometer, platform, configurations, general, released, orientation, windows, there fore, toolkit, license, public, refine, anouncements, developer, hosted, mailing, download, manual, project, berlios, welcome, thecologne, marked, photograph, obtain, rotations, afterward, simulations , analysis, patterns, special
berlios.de - rank der domain 25549 (2955 in CN)
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Fullprof
FullProf Suite Homepage
http://www.ill.eu/sites/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 potent ial to refine magnetic structures, perform simulated annealing and lot more.
middot, examples, downloads, references, support, tutorials, programs, fullprof, homepage, introduct ion
ill.eu - rank der domain 901591 (31809 in FR)
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BRASS - Bremen Rietveld Analysis and Structure Suite
BRASS Bremen Rietveld Analysis and Structure Suite
http://www.brass.uni-bremen.de/
A suite of programs covering tasks from raw data display over Rietveld refinement, structure complet ion via Fourier and Grid search methods, stress/strain and crystallite size analysis and quantitativ e phase analysis to high quality structure drawing and crystal chemical calculations.
structure, rietveld, bremen, analysis
uni-bremen.de - rank der domain 32309 (1635 in DE)
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RIETAN-2000
http://homepage.mac.com/fujioizumi/rietan/angle_dispersive/angle_dispersive.html
A software package for the simulation of X-ray and neutron diffraction patterns, pattern decompositi on by Le Bail refinement, refinement of lattice and structure parameters by the Rietveld method and whole-pattern fitting based on the maximum-entropy method (MEM).
mac.com - rank der domain 4452 (222 in JP)
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OrientExpress
CCP14 Homepage - Tutorials and Examples - LMGP suite for Windows by Jean Laugier and Bernard Bochu - Basic Demonstration of OrientExpress for orienting a single crystal from a single Laue Photograph
http://www.ccp14.ac.uk/tutorial/lmgp/orientexpress.htm
A software used to orient a single crystal of known unit cell dimensions from a single Laue photogra ph.
tutorials, frames, single, bernard, examples, windows, laugier, software, crystallographic, programs , method, solutions, laboratoire, webpage, download, materiaux, crystal, photograph, orienting, orie ntexpress, homepage, demonstration, mirrors, introduction, search
(SLD : ac.uk)
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Daresbury Laboratory Laue Software Suite
Daresbury Laboratory Laue Software Suite
http://www.srs.ac.uk/px/jwc_laue/laue_top.html
The Daresbury Laboratory Laue Software Suite is a set of programs developed for the processing of La ue X-ray diffraction data.
programs, laboratory, daresbury, available, processing, normalisation, software, deconvolution, wave length, method, wavelength, program, stages, convert, scaling, output, functions, afscale, analysis, intensities, integrated, indexing, updates, details, intensity, standard, prediction, module, recen t, integration, process, methods, difflaue, campbell, gnomonic, multiple, document, difference, post script, harmonics, developed, overview, starting, separate, gnomconv, projection, processing, reorde r, pslaue, points, specific
(SLD : ac.uk)
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ASSC - Anomalous Scattering Signal Calculator
ASSC - Anomalous Scattering Signal Calculator
http://assc.p.lodz.pl
A web-based program calculating the anomalous signal for a crystal of a given content.
The program calculates the anomalous signal for a crystal of a given content.
anomalous, anomal, scattering, dispersion, diffraction, calculation, radiation, program
document, visibility, elements, maxwell, getelementbyid, symbols, program, pagetracker, gajshost, la yers, calculator, signal, hidden, substructure, scattering, anomalous, structure, visible, chemistry , anomalous, calculates, poland, university, technical, olczakan, atomic, present, contains, modeato mic, verbose, centrosymmetric, ecological, chosen, wavelength, signal, unescape, 3cscript, analytics , google, protocol, function, import, showhide, location, netscape, andrzej, institute, sieron, lesl aw, olczak, trackpageview
lodz.pl - rank der domain 12072 (191 in PL)
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Olex2
http://www.olex2.org/
A program for the determination, visualisation and analysis of molecular crystal structures.
(SLD : olex2.org)
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SINCRIS
SINCRIS software list
http://ww1.iucr.org/sincris-top/logiciel/
Database of software for crystallography.
software, available, software, notice, database, questions, information, sincris, crystallography, e ditor, journal, editor, please, direct, authors, crystallography, signaling, thanks, incorrect, tech nical, commercial, advertisment, received, accept, software, cannot, answer, contribution, submitted , message, international, copyright, sincris, availability, compiled, additional, warranty, possible , reference, program, whenever, quality, distribution, charge, together, described, advertisment, de scription, address, person, package
iucr.org - rank der domain 227474 (88948 in US)
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Symmation
Medical Animation, Molecular Animation and Science Animation by Symmation
http://www.symmation.com
Accurate 3D medical/molecular/scientific animations and illustrations.
Accurate and advanced 3D medical animation and medical illustration, research scientific animation a nd scientific illustration, and molecular animation and illustration for marketing professionals in healthcare, biotechnology, medicine & the legal field.
medical animation,medical movies,medical animations,3D medical animation,medical flash animation,hea lth and medical animation,medical animation accurary,free medical animation,science animation,scienc e research animation,molecular illustration,graphics molecular,biology animation molecular,molecular dynamics simulation animation,thermal energy and molecular motion animation,molecular vibration ani mation,medical illustration,medical illustrations,stock medical illustration,medical legal illustrat ion
animations, symmation, animation, medical, medical, scientific, professionals, yourself, convince, p ortfolio, browse, consider, through, testimonials, client, molecular, transform, visuals, memorable, communication, please, science, illustrations, quality, animation, illustration, services, technica l, advanced, accurate, science, molecular, provides, looking, turnaround, guaranteed, concept, illus trations, images, graphics, accuracy
(SLD : symmation.com)
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IUCr: Enhanced figures
(IUCr) enhanced figures
http://journals.iucr.org/services/enhancedfigures.html
Interactive visualizations of crystal and molecular structures. They use the open-source Java progra m Jmol and can contain author-created scripts to show different aspects of the structure.
enhanced, figure, figures, windows, versions, crystallography, tutorial, browser, manual, document, toolkit, format, gajshost, static, international, molecule, pagetracker, author, requirements, diffe rent, appear, journals, online, crystal, javascript, biological, gettracker, 187984, organic, resour ces, unescape, webmaster, reference, toolkit, options, macromolecule, trackpageview, introduction, p rotocol, submit, inorganic, lattice, location, tutorial, introductory, acknowledgements, script, cre dits, scientists, employing, crystallographers
iucr.org - rank der domain 227474 (88948 in US)
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ReX
ReX home | ReX
http://www.rexpd.com/
A program based on the Rietveld method that allows to perform quantitative and structural analyses s tarting from powder diffraction data. Windows, Mac and Linux platforms.
download, linear, squares, sample, instrument, related, quantities, optimization, algorithms, docume ntation, powder, latest, version, optimize, possibility, allows, helpinstallation, perform, quantita tive, tutorials, method, contact, rietveld, structural, analyses, flexible, diffraction, parameter, architecture, offering, provides, starting, powder, diffraction, program
(SLD : rexpd.com)
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Multiwire Laboratories, Ltd: NorthStar
http://www.multiwire.com/
Software that automatically collects, find peaks, and indexes most back-reflection Laue images from Polaroid films. Windows platform.
(SLD : multiwire.com)
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Il Milione and SIR2008
Il Milione and SIR2008 | Institute of Crystallography, Bari
http://wwwba.ic.cnr.it/content/il-milione-and-sir2008
A suite of computer programs devoted to protein crystal structure determination by X-ray crystallogr aphy. The package also contains SIR2008, the package for the solution and refinement of small molecu le single crystal structures.
milione, sir2008, techniques, anomalous, protein, programs, available, crystal, multiple, replacemen t, single, milionemanuals, expo2009, softwaresir2008, package, version, quanto, milione, internal, f orums, contacts, methods, latest, structures, program, solution, versions, cation, density, electron , distributions, systems, performed, nement, packages, resolution, isomorphous, development, extensi on, atomic, computer, structure, sabino, crystallography, institute, easily, source, previous, stand ard, compiled, copyright
cnr.it - rank der domain 28358 (447 in IT)
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