121. SINCRIS Software List Database of software for crystallography. http://www.lmcp.jussieu.fr/sincris/logiciel/#liste

Software Contents Software for Crystallography How to use ftp and other Internet tools? Advertisment Papers on software in J. Applied Crystallography The editor cannot answer to technical questions about software he did not write! Please direct your questions to the authors. For educational software, please look also in CWW Teaching and Education section. Software database for crystallography A B C D ... New contribution to be submitted to the editor: Message to the Editor Any question should be directed to the author or to the Editor, Yves.Epelboin@lmcp.jussieu.fr SInCris Editor

122. Math Forum: Alejandre - Math Unit - Crystals crystallography is a relatively new science. ReneJust Hauy, who livedin the late 1700s to early 1800s, helped to make crystallography http://mathforum.org/alejandre/workshops/crystal.html

Real World - Viewing Crystals Contents Polyhedra in the Classroom Suzanne's Math Lessons [Crystallography] [ Crystal Systems Paper Nets Crystallography is a relatively new science. Rene-Just Hauy, who lived in the late 1700s to early 1800s, helped to make crystallography a mathematically exact science by classifying crystals with certain geometric shapes. Christian Westfeld (1746-1823) defined the concept of the unit cell. Christian Weiss (1780-1856) divided crystals into the different crystal systems that are used for classification today. Crystals form when changing temperatures beneath the earth's surface first melt a mass of molecules and atoms, then cool them slowly. As they cool, the atoms arrange themselves in symmetrical lattices. Simple molecular structure is the basis of a crystal's form. Crystals take shape according to the way in which their atoms combine. These atoms create regular geometric patterns because they always align themselves in the same way at a given temperature. A crystal, like a pattern, must have a shape that could extend or repeat itself in all directions indefinitely. That is why the faces of a crystal can only have certain shapes; they could not have anything but the symmetries in the patterns.

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

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124. Resources For CMCC, 2nd Edition Resources for Readers of. crystallography Made Crystal Clear A Guidefor Users of Macromolecular Models. Gale Rhodes. crystallography 101. http://www.usm.maine.edu/~rhodes/CMCC/

Welcome to the CMCC Home Page Table of Contents About the Figure, and About Crystallography Resources for Readers of C rystallography M ade C rystal C lear: A Guide for Users of Macromolecular Models Gale Rhodes Second edition, February 2000, Academic Press CONTENTS AND MORE INFORMATION FROM Academic Press ORDER THIS BOOK: Amazon Barnes and Noble Borders CMCC Home Page contains links to all web resources referred to in the second edition (2000) of CMCC. In addition, this page provides up-to-date links to selected other web sites that might of interest to to CMCC readers. I do not intend to make CMCC Home Page an exhaustive source for crystallographers or structural biologists. My emphasis is on sites that can help CMCC readers, or those with similar experience, to take the next steps in expanding their knowledge of macromolecular structure determination, modeling, and prudent use of models. This page is currently under construction. Please address suggestions, corrections, and notices of busted links to Notes About Use Of This Page Links to outside pages open in a NEW BROWSER WINDOW. To return to this page, close the new window.

125. GSAS Notes Set of programs for the processing and analysis of both single crystal and powder diffraction data. http://www.ncnr.nist.gov/programs/crystallography/software/gsas.html

Home XTAL Instruments Search ... SiteMap Information about GSAS GSAS (General Structure Analysis System) is a 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 instruments, or for those a bit more masochistic, time-of-flight instrumentation. Up to 99 different sets of data can be modeled using mixtures of up to 9 different phases. GSAS has been created by Allen C. Larson and Robert B. Von Dreele of Los Alamos National Laboratory. Executable versions of GSAS are distributed more-or-less freely (see the friendly message from the Regents of the University of California, below), but the source code is not distributed (don't complain to me on this one, I agree with you). Where do I get GSAS? The GSAS distribution sites are: UK http://www.ccp14.ac.uk/ccp/ccp14/ftp-mirror/gsas/public/gsas/ or ftp://ftp.ccp14.ac.uk/ccp14/ftp-mirror/gsas/public/gsas/

126. Crystallography & NMR System http://cns.csb.yale.edu/v1.1/

127. Crystallography & NMR System http://cns.csb.yale.edu/v1.0/

128. Rigaku/MSC -- Leading With Innovation Supplier of equipment for Xray spectrometry, diffraction, and optics, as well as small molecule and protein crystallography. http://www.rigaku.com

Advanced Search Newsletter Site Map What's New Leading With Innovation Since its inception in Japan in 1951, Rigaku Corporation has been at the forefront of analytical and industrial instrumentation technology. With hundreds of major innovations to its credit, Rigaku and its subsidiary companies are world leaders in the fields of X-ray spectrometry, X-ray diffraction, X-ray optics, as well as small molecule and protein crystallography. Rigaku employs over 1100 people in the manufacture and support of its analytical equipment. Its products are in use in more than 70 countries - supporting research, development, and quality assurance activities. Rigaku/MSC continuously promotes partnerships, dialog, and innovation within the global scientific and industrial community. Please choose a business division on the right to learn more about solutions for your area of interest. To access downloadable resources, you must have cookies enabled. Take our survey! MiniFlex The Miniflex is an affordable and compact XRD system which can easily be transported. It's perfect for CEMENT or PHARMACEUTICAL applications. Contact Us Privacy Webmaster

129. Synergetic Crystallography http://euch3i.chem.emory.edu/proposal/

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130. Macromolecular Crystallography return to main, macromolecular crystallography structural databases synchrotronscrystallographic packages heavy atom derivatization miscellaneous programs http://www.scripps.edu/~cdputnam/cryst/cryst.html

macromolecular crystallography: structural databases synchrotrons crystallographic packages heavy atom derivatization ... organizations structural databases protein database at RCSB nucleic acid database metalloprotein database at The Scripps Research Institute small molecule crystal structure database at Cambridge ... heterocompound parameter files at HIC-Up for CNS, XPLOR, TNT and O generate heterocompound parameter files with PRODRG Structural Biology Synchrotron Users Organization SSRL Stanford Synchrotron Radiation Laboratory Palo Alto, CA CHESS Cornell High Energy Synchrotron Source Ithaca, NY Brookhaven National Laboratories Biology Department ESRF European Synchrotron Radiation Facility Grenoble, France ALS Advanced Light Source Berkeley, CA APS Advanced Photon Source Chicago, IL BioCARS synchrotrons crystallographic packages CNS X-PLOR XtalView Uppsala Software Factory ... heavy atom databank Tom Blundell's Derivative Summary by Atom Type. M.A. Rould and S. Doublie's Derivative Summary by Frequency

131. Structural Medicine Course Theory and Practice of Macromolecular crystallography lectures presented at CIMRin Cambridge. Structural Medicine, Protein crystallography Course. http://www-structmed.cimr.cam.ac.uk/course.html

Protein Crystallography Course The Macromolecular Crystallography course was presented in the 1999-2000 academic year to staff and students of CIMR, University of Cambridge and the MRC-LMB. More Information Displaying these pages Other good courses Web-based crystallographic teaching (presented at IUCr 2002, Geneva) Lecture Topics Basic concepts and practical aspects Overview of X-ray crystallography Randy Read 9 November Crystallisation: theory and practice Airlie McCoy 16 November Basic diffraction theory: waves, interference, reciprocal space Randy Read 23 November X-ray data collection: indexing, strategy, processing Andrew Leslie 30 November The phase problem: introduction to phasing methods Randy Read 7 December Introduction to fitting, refinement and validation Randy Read 14 December Advanced topics Advanced diffraction: waves, interference and complex numbers Randy Read 18 January Advanced diffraction: atoms, crystals and reciprocal space

132. Crystallography Source Code Museum Synergetic crystallography 101Synergetic crystallography 101. by Kirby Urner First posted November 27,1998 Last modified November 30, 1998. Equating the fcc with the IVM. http://sdpd.univ-lemans.fr/museum/

Crystallography Source Code Museum This page is better displayed in 1024x768 resolution, minimum NEW Fortran archaeology, who is interested FORTRAN tracer-65 fordap-70 exfft-80 treor-90 ... promet-99 OTHER (C, C++...) babel-94 raswin-94 xnd-95 atominfo-96 ... zefsaII-99 : mixed language : Fortran + C Codes are distributed as grabbed here and there in archives. Some old codes (with graphic output) will certainly not work without huge elbow grease. Names are given, followed by the last modification year of the version, with a link to a zipped file containing the code and sometimes more. How many commercial codes reused pieces of the oldest above codes ? Nobody knows, since commercial codes are closed ! Anyway, if these legacy codes "inspire" you, think to let your code open. The museum appeared timely, due to the millenary change. See the discussion at the SDPD Mailing List ( mail 182 and following Other resources for crystallography developers: IUCr Commission on Crystallography Computing CCP14 Resources and Recommendations for Developers Some Starting links to Protein Crystallography Software/Macromolecular Crystallographic Software Bioinformatics Programming Libraries ... CCL Few is made for favoring development of crystallography software for academic research. This museum is a small step in that way.

133. Crystallography Teaching Aids Software and OnLine Resources for crystallography Education. Warning Majorchanges are underway! Other On-Line Resources for crystallography Education. http://mbond2.st.semo.edu/xtal/crystaled.html

Software and On-Line Resources for Crystallography Education Warning: Major changes are underway! Summary: This site is intended for the nonspecialist in crystallography and describes how to assemble a functioning crystallographic software package for PC that can be used in an advanced undergraduate laboratory setting. Very sophisticated and powerful crystallographic software packages are available, but at a cost of several thousands of $. A reasonably powerful crystallographic computing package can be assembled, however, from free or low cost components, but requires a larger time investment. In addition to providing pointers to a variety of free/low-cost crystallographic programs and commercial software packages, this site will also describe how to assemble these components to produce a complete crystallographic package running under Linux or DOS. Crystallographic Software Crystallography under Linux Crystallography under DOS Other On-Line Resources ... Crystallographic Software This section contains information on free/low cost software that can be integrated into package and commercially available packages for structure determination on PC's.

134. Athens Users Login Athens Users Login. EBSCOhost Support. User ID, Password, Minimum browserrequirements Internet Explorer 5.0 and Netscape 4.7. Important http://search.epnet.com/direct.asp?db=aph&jid=J04&scope=site

135. Cctbx Versions cctbx Versions. Documentation for the current development version http//cctbx.sourceforge.net/current_cvs/.It is highly recommended to use the CVS version. http://cctbx.sourceforge.net/

cctbx Versions Documentation for the current development version: http://cctbx.sourceforge.net/current_cvs/ It is highly recommended to use the CVS version. We take great care that the cctbx CVS trees are consistent and in working order. The C++ interfaces have changed significantly since the 1.0 release but are very stable since the fall of 2002. Please direct questions to Quick links cctbx - Web services cctbx - Automatic multi-platform builds cctbx - Public CVS repository cctbx - Project page at SourceForge cctbx Python interfaces: libtbx scitbx cctbx iotbx ... View document source . Generated on: 2004-04-23 00:04 UTC. Generated by Docutils from reStructuredText source.

136. Taylor & Francis Group - Publication Institut f. Krystallographie u. Mineralogie Translate this page Institut für Kristallographie und Angewandte Mineralogie. Institut für Kristallographieund Angewandte Mineralogie Theresienstr. 41 D-80333 München Germany http://taylorandfrancis.metapress.com/openurl.asp?genre=journal&issn=0889-311X

137. Index Of /FB/Geo/mineralogie/crystal Parent Directory 11-Dec-2003 1249 - Thumbs.db 20-Jan-2004...... Translate this page Index of /FB/Geo/mineralogie/crystal. Name Last modified Size http://www.uni-mainz.de/FB/Geo/mineralogie/crystal/

Index of /FB/Geo/mineralogie/crystal Name Last modified Size Description ... Parent Directory 11-Dec-2003 12:49 - Thumbs.db 20-Jan-2004 17:43 110k _arbeitskreis_3.htm 23-Jun-1999 19:10 1k _arbeitskreis_3_e.htm 23-Jun-1999 19:10 1k arbeitskreis.htm 29-Oct-2002 15:55 2k arbeitskreis_1.htm 23-Jun-1999 19:10 2k arbeitskreis_1_e.htm 23-Jun-1999 19:10 2k arbeitskreis_2.htm 23-Jun-1999 19:10 2k arbeitskreis_2_e.htm 23-Jun-1999 19:10 2k arbeitskreis_4.htm 23-Jun-1999 19:10 3k arbeitskreis_4_e.htm 23-Jun-1999 19:10 3k arbeitskreis_5.htm 23-Jun-1999 19:10 1k arbeitskreis_5_e.htm 23-Jun-1999 19:10 1k arbeitskreis_6.htm 23-Jun-1999 19:10 2k arbeitskreis_6_e.htm 23-Jun-1999 19:10 2k arbeitskreis_7.htm 23-Jun-1999 19:10 2k arbeitskreis_7_e.htm 23-Jun-1999 19:10 2k arbeitskreis_e.htm 29-Oct-2002 15:57 2k bild01_k.gif 23-Jun-1999 19:10 45k bild02_k.gif 23-Jun-1999 19:10 8k bild03_k.gif

138. Indiana University Molecular Structure Center - Molecular Structures Indiana University Molecular Structure Center Information about this Server.IUMSC Live Video Systems. Instructions. About the IUMSC. Molecular Structures. http://www.iumsc.indiana.edu/

Indiana University Molecular Structure Center Information about this Server IUMSC Live Video Systems Instructions About the IUMSC Molecular Structures Crystallographic Links What's New IUMSC staff IUMSC Publications Virtual laboratory tour ... Crystallographic Informatics Indiana University Destinations Indiana University IUB IUB Chemistry People at IU The IUMSC is the hub of the Reciprocal Net Welcome to Reciprocal Net Reciprocal Net news Reciprocal Net members ... Reciprocal Net contributors Last modified http://www.iumsc.indiana.edu

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