41. Crystallography & Crystallographic Information crystallography is the science of examining materials on the atomic scale. This includes defining molecular structure, identifying all the atoms present http://www.library.uiuc.edu/phx/crystal/crystalrev.html

Crystallography and Crystallographic Information This document is a guide to the literature located in the University of Illinois at Urbana-Champaign (UIUC) Libraries and important resources available elsewhere. Prepared by: Greg Youngen Physics/Astronomy Librarian University of Illinois at Urbana-Champaign Click here for the SLA Power Point presentation about this website. Table of Contents 1. Definitions 2. Organizations 3. Publications Directories ... 8. Bibliography Topical Quick Access Elements Inorganics Organics / Organometallics Minerals ... Crystal Structure Data Help Guides Library Holdings Codes CHX Chemistry Library, 225 Noyes Lab ENX Grainger Engineering Library, 1301 West Springfield GEX Geology Library, 223 Natural History PHX Physics Library, 204 Loomis Lab STX Main Library, Central Circulation NOS Not available at UIUC Definitions Crystallography is the science of examining materials on the atomic scale. This includes defining molecular structure, identifying all the atoms present along with their space patterns, and establishing correlation with the substances' physical and chemical properties. The crystallographic data compiled through the use of x-ray diffraction, electron microscopy, and other techniques is of great interest to researchers in the fields of chemistry, solid state physics, materials science and biology.

42. A.V.Shubnikov Institute Of Crystallography Russian Academy Of Sciences (IC RAS) Shubnikov Institute of crystallograhy Russian Academy of Sciences (ICRAS) home page. Entry point to information about ICRAS. http://www.crys.ras.ru/indexe.html

last updated: August 23, 2003. www.crys.ras.ru Russian A.V.Shubnikov Institute of Crystallography Russian Academy of Sciences IC RAS Main page The Shubnikov Institute of Crystallography of the Russian Academy of Sciences (IC RAS) was officially given the name of its founder and first director, Full Member of the USSR Academy of Sciences Professor Aleksei Vasil'evich Shubnikov, in 1971. In 1969, the Institute was awarded the Order of Red Banner of Labor. The Institute is located in Moscow in buildings on Leninskii pr. 59 and ul. Butlerova 17a and has a division ( Research Center for Space Materials Science ) in the city of Kaluga. The Institute Management and its departments are located in the Main Building. Research is traditionally performed along three main directions-crystal growth, crystal structure, and crystal properties. Recently, great attention is also paid to developing the scientific program and the mathematic apparatus and methods for using synchrotron-radiation sources located in the Moscow oblast for structural studies of various organic and inorganic materials. Russian and English. These two versions are not always identical, but both provide the same information on the major

43. E-Crystallography ecrystallography course. Gervais Chapuis. Applets programmed by Nicolas Schoeni. Last update 11 June 2007. Version imprimable. http://escher.epfl.ch/eCrystallography/

e-Crystallography course Gervais Chapuis Applets programmed by Nicolas Schoeni Last update: 11 June 2007

44. Oscail Software The crystallography Centre at NUI, Galway is dedicated to the determination Our interests range from Protein crystallography through Small molecules and http://www.nuigalway.ie/cryst/

Home Research Crystallography Centre Small Molecules ... Pictures of Galway The Crystallography Centre at NUI, Galway is dedicated to the determination of molecular structure by X -ray diffraction techniques. Our interests range from Protein crystallography through Small molecules and Powder diffraction to crystal structure prediction . Powder diffraction work for industry is undertaken on a regular basis The centre has developed an integrated WINDOWS software system, Oscail , for small molecule structure determination and visualisation which uses SHELX-S and SHELX-L, ORTEX and Raster3D. Software for the simulation of POWDER patterns has also been developed. This software (free to non-profit academics) is currently in use in many crystallographic groups worldwide. Eile

45. Texas Center For Crystallography At Rice University Texas Center for crystallography at Rice University crystallography and Xray crystallography analysis facility at Rice University, Houston, Texas. http://python.rice.edu/~arb/CCD/Crystallographic_Analysis.html

Crystallography at Rice University Shared Equipment Authority Rice University - 6100 Main Street - Houston, TX 77005 - USA (Note: If you are using Microsoft Explorer to view this site, you may want to set yourTextZoom view at 75%) CCD Personnel Contact Us Areas of Interest Acquisition of a Bruker SMART 1000 CCD was made possible through the generosity of the Welch Foundation and Rice University. User Groups A primary group of users are research oriented faculty, post doctoral fellows, and graduate students. The Rice instrument can enhance the use of crystallography in many research programs by enabling data collection on samples that are too small, weak, or unstable. This category includes chemists at Texas Tech, TCU, SMU, UTEP, and UTA. For scientists who have had regular access to X-ray capabilities, the Rice facility can be the primary source of data. Users in this group include UNT and UTD. A third group of users consists of scientists who have not previously had ready access to crystallographic facilities. This group includes users at TWU, Trinity University, Midwestern State University, and several other Texas educational institutions.

46. CCP14 External Databases - Single Crystal And Powder Diffraction - Crystallograp Basic crystallography Diagrams by B. Craig Taverner http//hobbes.gh.wits.ac. za/craig/diagrams. Closepacked structures. by P. Krishna and D. Pandey http://www.ccp14.ac.uk/database.htm

Collaborative Computational Project Number 14 For Single Crystal and Powder Diffraction (Freely Available Crystallographic Software for Students and Academia) Home About CCP14 Downloads Contact CCP14 Crystallography Databases Crystallographic and Related Databases 3D Model Builders Crystallographic and Related Databases COD - Crystallography Open Database CCDC - Cambridge Crystallographic Data Centre ICSD (Inorganic Crystal Structure Database) - on CD-ROM ICSD (Inorganic Crystal Structure Database) - on the Web How to purchase ICSD for inhouse/intranet with WWW interface Jeremy Cockcroft's Hypertext Book of Space Groups Please visit http://www.durham.ac.uk/zprime for more details. WWW-MINCRYST - Information-Calculating System on Crystal Structure Data for Minerals - (Structures and other information - very impressive and comprehensive): http://database.iem.ac.ru/mincryst/ and http://database.iem.ac.ru/mincryst/s_full.php3 Mineral Web (with Chime plugin structure animations) American Mineralogist/Mineralogical Society of America Structure Database - on the Web American Mineralogist/Mineralogical Society of America Structure Database - on the Web Web Minerals - Very night quality Minerals at Athena - one of the original and the best All Minerals of the World / Tous les min©raux de la terre ICDD - International Centre for Diffraction Data Software Suite for Macromolecular Crystallography Software Suite for single crystal and powder diffraction

47. CaRIne Crystallography Software CaRIne crystallography is a crystallographic software which has been developed since 1989 and which is used by thousands of persons around the world for http://pagespro-orange.fr/carine.crystallography/index.html

The crystallographic software for research and teaching 1 software, 2 complementary and compatible versions Website navigator CaRIne Crystallography CaRIne Full description Teaching with CaRIne Support News TRIAL VERSION 4.0 Now available The trial version of CaRIne 4.0 is now available for Windows. Download it to learn how it became easy to create complex structures. CARINE REGISTRED USER ZONE Opened for registred users Keep the contact with CaRIne and get all the power of it by downloading and installing all the last added functionalities. CARINE 4.0 TUTORIALS Now available The last version brings numerous tutorials that will make you becoming experts. Get the last version of CaRIne. CaRIne Crystallography 4.0 for Windows and Linux show all pictures CaRIne Crystallography is a crystallographic software which has been developed since 1989 and which is used by thousands of persons around the world for teaching, research and edition is now available in a totally rethought version. The first part of this new version 4.0

48. X-Ray Crystallography EENS 211. Earth Materials. Tulane University. Prof. Stephen A. Nelson. XRay crystallography. Prior to the discovery of X-rays by Conrad Roentgen in 1895, http://www.tulane.edu/~sanelson/eens211/x-ray.htm

EENS 211 Earth Materials Tulane University Prof. Stephen A. Nelson X-Ray Crystallography Prior to the discovery of X-rays by Conrad Roentgen in 1895, crystallographers had deduced that crystals are made of an orderly arrangement of atoms and could infer something about this orderly arrangement from measurements of the angles between crystal faces. The discovery of X-rays gave crystallographers a powerful tool that could "see inside" of crystals and allow for detailed determination of crystal structures and unit cell size. Here we discuss the application of X-rays, not so much in terms of how they are used to determine crystal structure, but how they can be used to identify minerals. Nevertheless, we still need to know something about X-rays, how they are generated, and how they interact with crystalline solids. X-rays and the Production of X-rays X-rays are electromagnetic radiation with wavelengths between about 0.02 Å and 100 Å (1Å = 10 meters). They are part of the electromagnetic spectrum that includes wavelengths of electromagnetic radiation called visible light which our eyes are sensitive to (different wavelengths of visible light appear to us as different colors). Because X-rays have wavelengths similar to the size of atoms, they are useful to explore within crystals.

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

Home Research Crystallography Centre Overview ... Download Oscail X - Windows Software for Crystallography and Molecular Modelling This software is FREE to ACADEMIC users. Commercial users must obtain permission for its use Oscail tutorials covering Molecular Modelling and Crystallography are available. This Windows software provides an integrated high quality system for building and modelling molecules (Mopac and Iconc are included) and the system drives PC GAMESS and Tinker. The crystallographic software can solve, refine and examine small molecule crystal structures. The pictures produced range from high quality HPGL to photo realistic rendered 3D. Rendered movies are effective and easy to make using RASMOV. Software for Powder pattern simulation and the detection and display of voids is also available. The programs have been compiled using an optimising compiler (optimised for Pentium) and use 32 bit windows code. They are as as fast or faster than any other versions.

50. Protein Crystallography Lecture Definitions Protein crystallography. Important points and definitions . Protein crystallography T.L. Blundell L.N. Johnson, Academic Press Inc. London, (1976). http://pldserver1.biochem.queensu.ca/~rlc/work/teaching/definitions.shtml

Protein Function Discovery and Department of Biochemistry Molecular Modelling and Crystallographic Computing Facility Crystallography and Modelling: Home Computing Facility Guides Software List Crystallography Links ... Calculations Other: Software Links Rob's Home This site will look much better in a browser that supports web standards Lecture outline Definitions Links to sites for teaching crystallography Protein Crystallography Important points and definitions: Crystal: a regular repeat of molecules, usually with some sort of internal rotational symmetry. Protein crystals are usually about 40-60% solvent by weight and are thus fragile and sensitive to drying out. Unit cell: the smallest repeating unit that can generate the crystal with only translation operations. Lattice: the regular spacing (defined by lengths and angles) of the origins of the individual unit cells. Mosaicity: angular measure of the degree of long-range order of the unit cells within a crystal. Lower mosaicity indicates better ordered crystals and hence better diffraction Asymmetric unit: the smallest unit that can be rotated and translated to generate one unit cell using only the symmetry operators allowed by the crystallographic symmetry. The asymmetric unit may be one molecule or one subunit of a multimeric protein, but it can also be more than one.

51. Structures - Crystallography STRUCTURES. Structural Databases contain crystal structure data on organic, organometallic and inorganic compounds as well as metals and alloys. http://cds.dl.ac.uk/cds/datasets/crys/crystal.html

STRUCTURES Structural Databases contain crystal structure data on organic, organo-metallic and inorganic compounds as well as metals and alloys. They can help you find out if a crystal structure has been done before and can provide a model compound for you to download, to help with with your modelling studies. In some cases you can conduct substructure and geometry searches and you can explore non-bonded interactions and measure bond angles and bond lengths. Graphics tools can help you visualise the structure in 3D - as a single molecule or in a unit cell. CDS provide The Cambridge Structural Database (CSD) - the only comprehensive collection of small-molecule organic and organometallic crystal structures. The Inorganic Crystal Structure DataFile (ICSD) - inorganic structures - the companion file to the Cambridge organic file. CRYSTMET (MDF - Metals Data File) - Crystal structure data for metals and alloys. Crystal Data Identification File (CDIF) - Crystal class and unit cell data for crystal structures. Access to the data is via:- X-windows - CSD using ConQuest Web Browser CrystalWeb - Bibliographic, cell data, reduced cell and basic formula searching of CSD, ICSD and CRYSTMET

52. Crystallography In Würzburg Welcome to the home page of the crystallography group in Würzburg. The crystallography department is involved in further projects in the field of http://www.mineralogie.uni-wuerzburg.de/crystal/crystal.html

53. CCI Homepage cci.lbl.gov/ 2k - Cached - Similar pages Protein crystallography on the WebLearn how protein structures are determined, how their quality is judged, and how to read crystallographic papers. http://cci.lbl.gov/

54. X-Ray Crystallography Subject Guide - Chemistry Library - UW-Madison Also available Predicted crystallography Open Database Contents 12000 entries Repository Yes, by participating crystallography labs http://chemistry.library.wisc.edu/subject-guides/x-ray-crystallography.html

UW - Madison Libraries UW Home My UW Chemistry Library Take me to: MadCat E-Resources/Databases E-Journals/Find It Library Express RefWorks Contact Us by Email Home Hours Staff Contact Us Subject Guide: X-Ray Crystallography Return to Subject Guides Index X-Ray Crystallography Introduction Repositories/Databases Online Learning Organizations ... Glossary Introduction Probably the most famous X-ray diffraction image is the photograph of the B form of DNA taken by Rosalind Franklin in May 1952 ( http://www.physicstoday.org/vol-56/iss-3/captions/p42cap3.html ). With the help of Oxford crystallographer Dorothy Hodgkin, Franklin described the helical backbone and correct crystallographic space group for DNA . Her work was instrumental in Watson's and Crick's correct modeling of DNA, for which they received the Nobel Prize. The author gratefully acknowledges Dr. Ilia Guzei, Director of the Molecular Structure Laboratory , University of Wisconsin-Madison, for his continued interest in x-ray cryatallography information. Repositories/Databases American Mineralogist Crystal Structure Database.

55. ISIS Spallation Neutron & Muon Source | Instruments & Support | Crystallography The crystallography programme at ISIS focuses largely on the powder crystallography experiments are also undertaken on several other ISIS instruments, http://www.isis.rl.ac.uk/Crystallography/index.htm

56. ::: International School Of Crystallography ::: Click on the Main Entrance of San Rocco Institut to enter the website For any technical problem contact the webmaster. http://www.crystalerice.org/

Click on the Main Entrance of San Rocco Institut to enter the website For any technical problem contact the webmaster

57. Synergetic Crystallography 101 crystallography, as traditionally communicated, is inevitably imbued with a strong European bias in favor of making everything cubical or cubereferenced. http://www.4dsolutions.net/ocn/xtals101.html

Synergetic Crystallography 101 by Kirby Urner First posted: November 27, 1998 Last modified: November 30, 1998 Equating the fcc with the IVM Crystallography, as traditionally communicated, is inevitably imbued with a strong European bias in favor of making everything cubical or cube-referenced. Ergo, the synergetics approach to closest packing of unit-radius spheres as concentric layerings of 10 f + 2 spheres around a nuclear sphere, in a cuboctahedral conformation, is rarely found in 1900s crystallography books. Rather, we read about the "face centered cubic" lattice (fcc) which amounts to the same thing. To get from the face centered cubic lattice to the isotropic vector matrix (IVM), we need to translate our focus. The graphics below show how the cuboctahedron (shown in yellow) inhabits the same matrix (or lattice) with reference to a nuclear position. Packing outwardly from this nucleus in cuboctahedral conformation is another way to generate all the same fcc loci (positions). Mapping crystal structures in a 4 IVM framework The isotropic vector matrix defines tetrahedral and octahedral voids, which may in turn be occupied by alternate IVMs. The tetrahedral voids define two alternate IVMs, and the octahedral voids a complement to the currently active one for a total of 4 IVMs in all. By selecting combinations of these interpenetrating IVMs, we define some of the lattices typically encountered by crystallographers.

58. Reciprocal Net Reciprocal Net a distributed crystallography network for researchers, Currently, we have 18 participating crystallography laboratories online. http://www.reciprocalnet.org/

Welcome to Reciprocal Net! Become a Partner Search Structure Contact Us Reciprocal Net a distributed crystallography network for researchers, students and the general public About Reciprocal Net Site Network Learn About Help Reciprocal Net, home of the award winning Common Molecules Collection Reciprocal Net is funded by the U.S. National Science Foundation as part of the National Science Digital Library project. Highlight Methanol (h4-phthalocyaninato)- magnesium (II) Dr. Ilia Guzei Molecular Structure Lab, Univ. of Wisconsin-Madison Prof. Robert McGaff Univ. of Wisconsin-La Crosse As a class of compounds, the metallophthalocyanines exhibit a wide array of physical and chemical properties that can be profoundly affected by subtle changes in their structures. Shown here is methanol(h4-phthalocyaninato) magnesium(II), a recent addition to the list of compounds that fit this classification. This compound adopts a crystal structure that results from two different types of interactions between molecules. These are known as p-p dimerization and hydrogen bonding. One interesting subtlety in the structure of the molecule shown can be described as a "hat visor" shape, a description put forth for the first time in a very recent paper describing this structure. This molecule is only one of several related compounds under investigation through a collaboration involving Dr. Ilia Guzei

59. Crystallography Mathematical crystallography Complete book available for free download A Direct Study of Grain Boundary Allotriomorphic Ferrite crystallography http://www.msm.cam.ac.uk/phase-trans/crystallography.html

Crystallography Introduction to Crystallography Question sheet on Crystallography Slides for lecture 1 Slides for lecture 2 ... Simulation of crystallographic texture development during recrystallisation. Mathematical Crystallography: Complete book available for free download Crystal Plasticity: Complete book available for free download Growing crystalline trees Movies ... Materials Algorithms

60. NetSci: Structural Chemistry Software Listing List of crystallography software. http://www.netsci.org/Resources/Software/Struct/xray.html

Welcome to NetSci's List of Crystallography Software Notice: The Software Section of NetSci is accessed by hundreds of scientists every week. Our goal is to make this resource as comprehensive as possible. If your software program is not included, please send e-mail with a brief description, the categories under which your program should appear, the platforms supported, and contact information. For programs currently listed in NetSci , please check the table and description and notify us of any changes or additions. A, B, C D, E, F G, H, I J, K, L ... X, Y, Z - A, B, C - ABSEN A PC-based program for listing systematic absences and space-group determination. ABSORB - Brennan-Cowan X-ray absorption, reflection and dispersion calculation. Calculates f' and f'' based on theoretical work of Cromer and Liberman calculates Rayleigh and Compton cross-section based on McMaster. Absorbtion package SSRL Fortran package for calculating absorption for X-Rays Alscript program for formatting multiple sequences alignments Amas Automatic analysis of multiple protein sequence alignments.

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