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2 edition of Crystallographic computing found in the catalog.

Crystallographic computing

International Summer School on Crystallographic Computing (1986 Leipzig)

Crystallographic computing

proceedings of the InternationalSummer School on Crystallographic Computing held in Leipzig, 11-20 August 1986

by International Summer School on Crystallographic Computing (1986 Leipzig)

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  • 10 Currently reading

Published by Karl-Marx-Universität in Leipzig .
Written in English


Edition Notes

Statementedited by P.Paufler, V.Geist and D.Klimm.
ContributionsPaufler, P., Geist, V., Klimm, D.
The Physical Object
Pagination2 v
ID Numbers
Open LibraryOL22653094M

Review Article Václav Petříček*, Michal Dušek and Lukáš Palatinus Crystallographic Computing System JANA General features Abstract: JANA is a freely available program for. 2of16Boulle and Kieffer High-performance Python for crystallographic computing J. Appl. Cryst. (). 52 Figure 1 Fraction of articles published every year by the International Union of Crystallography containing the word ‘Python’ in the title or in theAuthor: Alexandre Boulle, Jérôme Kieffer. This book is a must for beginners in the study of crystallography. It covers with worked out examples many of the themes, techniques, and approaches of structure determination, from a historical perspective and almost as a "Cliff Notes" version of the foundations, Cited by: The European Crystallographic Computing Forum will be a participant driven event. Participants can bring small software projects which are outside their current skills and work on them together with other participants in teams, being helped by the invited tutors and each other. We encourage informal tutorials between participants.


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Crystallographic computing by International Summer School on Crystallographic Computing (1986 Leipzig) Download PDF EPUB FB2

The latest in a series on crystallographic computing, this collection of 33 papers covers the full spectrum of computer applications in crystallography, including the use of micro- Author: G. Sheldrick. Crystallographic Computing. [F.R. (Ed) Ahmed] on *FREE* shipping on qualifying : F.R.

(Ed) Ahmed. Computing in Crystallography. Lectures delivered at the International Winter School on Crystallographic Computing Organised by the Commission of Crystallographic Computing of the International Union of Crystallography on *FREE* shipping on qualifying offers.

Crystallographic Computing 3: Data Collection, Structure Determination, Proteins and Databases. Abstract. Computing Methods in Crystallography is a collection of lectures given at a two-week Summer School held in Oxford, UK in August About forty-five crystallographers focused on advances in the use of computing methods in Crystallographic computing book.

The discussions are organized around four themes: algebra, statistics, phase determination, and programming. Computing Methods in Crystallography is a collection of lectures delivered at a Summer School, held in Oxford in August The book presents the underlying mathematics and computing methods in Edition: 1.

Over the years, crystallographic computing has become easy and affordable thanks to personal computers (PC), which meet nearly all the needs of most conventional crystallographic calculations, at least concerning crystals of low and medium complexity (up to hundreds of atoms). structures, crystallographic computing * Corresponding Author: Václav Pet ř í č ek, Institute of Physics, Academy of Sciences of the Czech Republic, v.v.i., Na Slovance 2.

Crystallographic Computing System for Standard and Modulated Structures. Vaclav Petricek, Michal Dusek & Lukas Palatinus. Jana is a crystallographic program focused to solution, refinement and interpretation of difficult, especially modulated structures.

It calculates structures having up to three modulation vectors from powder as well as. The International Tables for Crystallography is an eight-book series that outlines the standard notations for formatting, describing and testing crystals.

The series contains books that covers analysis methods and the mathematical procedures for determining organic structure though x-ray crystallography, electron diffraction, and neutron diffraction. Featuring presentations given at the renowned Vesprém School on Crystallographic Computing, the book covers a wide range of subjects regarding the state of crystallographic software, such as recent advances in powder diffraction techniques, structure and solution, and refinement.

Macromolecular Crystallographic Computing: /ch Structural genomics or structural proteomics can be defined as the quest to Crystallographic computing book the three-dimensional structures of all proteins.

Single-crystal X-rayAuthor: Kostas Bethanis, Petros Giastas, Trias Thireou, Vassilis Atlamazoglou. Terms of Reference. After the close Crystallographic computing book the Fourth General Assembly, the Executive Committee appointed an ad-hoc Committee to consider what action the Union could take with respect to a number of questions raised at that Assembly concerning crystallographic computing.

The final report of this ad-hoc Committee was sent to the National Committees in June as an appendix to the Agenda, and it is.

High-performance Python for crystallographic computing A. Boulle a * and J. Kieffer b a Institut de Recherche sur les Céramiques, CNRS UMR,Centre Européen de la Céramique, 12 rue Atlantis, Limoges Cedex, France, and b European Synchrotron Radiation Facility, 71 Avenue des Martyrs, Grenoble, FranceAuthor: Alexandre Boulle, Jérôme Kieffer.

Book: Crystallographic Computing 3: Data Collection, Structure Determination, Proteins and Databases: Oxford University Press, Inc. New York, NY, USA © ISBN Book Bibliometrics Citation Count: 0 Downloads (cumulative): n/a Downloads (12 Months): n/aCited by: Book: All Authors / Contributors: F R Ahmed; K Huml; B Sedláček.

Find more information about: ISBN: OCLC Number: Description: pages: illustrations ; 26 cm: Responsibility: proceedings of an International Summer School organized by the Commission on Crystallographic Computing of the International Union.

Crystallographic Computing Schools Bangalore Crystallographic Computing School - 15th to 20th August at the Molecular Biophysics Unit of the Indian Institute of Science in Bangalore, India. The school took place just before the 24th Congress and General Assembly of the IUCr in Hyderabad, India (21thth August ).

Mieres Crystallographic Computing School - 16th to 21st. The IUCr Crystallographic Computing School took place at the Molecular Biophysics Unit at the Indian Institute of Science in Bangalore, India.

It introduced modern methods of programming crystallographic calculations in a series of lectures and in-depth tutorials by leading crystallographic software developers. Crystallographic Computing Chem. Cryst. has a very long history of involvement in Crystallographic Computing, dating back to the s and earlier.

The primary result of this research is the highly regarded software CRYSTALS. In Chem. Cryst. was joint recipient of an EPSRC funded grant, Age Concern: Crystallographic Software of the Future. Crystallographic Computing System JANA General features The incommensurate crystal structure of the PdB phase; B ordering driven by elastic interaction between B atoms Symmetry reduction in uranyl compounds with [(UO)(TO)] (T = Se, S, Mo) layers: crystal structures of the new guanidinium uranyl selenate and methylammonium uranyl sulfateCited by: International Science Council Scientific Freedom Policy.

The IUCr observes the basic policy of non-discrimination and affirms the right and freedom of scientists to associate in international scientific activity without regard to such factors as ethnic origin, religion, citizenship, language, political stance, gender, sex or age, in accordance with the Statutes of the International Council for.

This chapter describes the fundamentals of crystallographic computing. Among the various topics available, those that are of more frequent use have been selected: axis transformations and geometric calculations — bond angles and distances, torsion angles, principal axes of the quadratic forms, metric considerations on the lattices, structure factors, and Fourier : Carmelo Giacovazzo.

Book Series Committee to conspire with the organizers of the School and the editors of Crystallographic Computing 6 to end the automatic publication of lecture notes and to eliminate papers or topics that do not provide value.

This would allow the editors to. IUCr/OUP Book Series. The IUCr/Oxford University Press (OUP) Book Series, consisting of three sub-series, was launched in Proposals for new books to be included in this Series must be submitted to the IUCr/OUP Book Series Selection Committee considers proposals for new publications and makes recommendations to the IUCr Executive Committee and to the Delegates of.

The volumes in the series, Methods in Molecular Biology, are conceived with the biochemist and molecular biologist in mind. The present book, Crystallographic Methods andProtocols, concentrates on the use of X-ray crystallography to solve the detailed three­ dimensional structuresofproteins, nucleic acids, andtheir : Humana Press.

The history of crystallographic computing and use of crystallographic software is one which traces the escape from the drudgery of manual human calculations to a world where the user delegates most of the travail to electronic computers.

In practice, this involves practising crystallographers communicating their thoughts to the crystallographic program authors, in the hope that new procedures Cited by: 3.

Coordinate transformations in modern crystallographic computing Malgorzata Rowicka, a Andrzej Kudlicki, a Jan Zelinka a and Zbyszek Otwinowski a * a Department of Biochemistry, UT Southwestern Medical Center at Dallas, Harry Hines Boulevard, Dallas, TXUSA.

This book introduces Python programming language and fundamental concepts in algorithms and computing. Its target audience includes students and engineers with little or no background in programming, who need to master a practical programming language and learn the basic thinking.

Home Browse by Title Books Crystallographic computing 5: from chemistry to biology: papers presented at the International School in crystallographic computing held at Bischenberg, France, 29 July -- 5 August Molecular data processing. ICSU Scientific Freedom Policy.

The IUCr observes the basic policy of non-discrimination and affirms the right and freedom of scientists to associate in international scientific activity without regard to such factors as ethnic origin, religion, citizenship, language, political stance, gender, sex or age, in accordance with the Statutes of the International Council for Science.

Representation of Crystallographic Space Groups 1st Edition Amazon Web Services Scalable Cloud Computing Services: Audible Listen to Books & Original Audio Performances: Book Depository Books With Free Delivery Worldwide: Box Office Mojo Find Movie Box Office Data.

High-performance Python for crystallographic computingHigh-performance Python for crystallographic computing Article (PDF Available) in Journal of Applied Crystallography 52(4) August with. Read 17 answers by scientists with 13 recommendations from their colleagues to the question asked by Abbas Raza on The volume is a vital addition to the library of scientists engaged in crystal structure determination, crystallographic computing, crystal physics and other fields of crystallographic research.

Graduate students specializing in crystallography will find much material suitable for self-study and a rich source of references to the relevant. Prior to the meeting, Richard Cooper was a tutor at the ECA Crystallographic Computing School in Mieres, organised by the ECA SIG 9 and gave a lecture on Programming Crystallographic Symmetry.

Posted by Richard Cooper on Aug Conferences, Research Tagged with: Barluenga's Reagent, crystallographic computing, diffuse scattering. ISBN: OCLC Number: Notes: "Papers presented at the International Summer School on Crystallographic Computing held at the Max-Planck-Institut für Kohlenforschung, Milheim an der Ruhr, FRG, 30 July-8 August ".

Get this from a library. Crystallographic computing 4: techniques and new technologies: papers presented at the International School of Crystallographic Computing held at the Flinders University of South Australia, Adelaide, Australia, August[N W Isaacs; M R Taylor; International Union of Crystallography.;].

Posted by Richard Cooper on Octo Publications, Research Tagged with: crystallographic computing, CRYSTALS, validation. CRYSTALS Enhancements: Refinement of Atoms Continuously Disordered Along a Line, on a Ring or on the Surface of a Sphere.

Apr 22 J. Appl. Cryst. Crystallographic computing; proceedings of an International Summer School organized by the Commission on Crystallographic Computing of the International Union of Crystallography and held in Ottawa, August # Scandinavian university books.

Using Mathematica for crystallographic computing J. Appl. Cryst. 52, – Figure 4 Overview of the most essential directories (black) and files (blue) of the package.

The items of Section 3 are coloured red. Figure 3 Extracting the same information as shown in Fig. Note that the. Abstract. The Bilbao Crystallographic Server is a web site with crystallographic databases and programs available on-line at It has been operating for about six years and new applications are being added regularly.

The programs available on the server do not need a local installation and can be used free of by: CiteSeerX - Document Details (Isaac Councill, Lee Giles, Pradeep Teregowda): Introduction Information about crystallographic groups, in particular space groups, is usually made available in the form of printed lists, such as in the International Tables, 1 or in the book on four-dimensional crystallographic groups.

2 For higher dimensions, this approach becomes quickly impractical, as the.ECM31, Oviedo The 31st European Crystallographic Meeting, ECM31, of the European Crystallographic Association will take place in the Palace of Exhibition and Congresses (PEC) in Oviedo, Asturias, from August