IUCR - 2017 | International Union of Crystallography
IUCR - 2017 International Union of Crystallography
IUCR - 2017 | International Union of Crystallography
IUCR - 2017 International Union of Crystallography
Crystallography Open Database
Crystallography Open Database
(IUCr) CrysFML
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iucr crystallographic software list : ATHENA, ARTEMIS, HEPHAESTUS This software package is based on the IFEFFIT library of numerical and XAS algorithms. The programs described here are: (i) ATHENA, a program for XAS data processing, (ii) ARTEMIS, a program for EXAFS data analysis using theoretical standards from FEFF and (iii) HEPHAESTUS, a collection of beamline utilities based on tables of atomic absorption data.CCTBX The Computational Crystallography Toolbox (cctbx) is a reusable scientific software library for: - the development of crystallographic structure determination programs. - the integration of existing crystallographic programs through helper scripts. - hands-on teaching crystallographic concepts. The cctbx is designed with an open and ...search IUCr Journals. ... Crystallographic software is presented in the Journal of Applied Crystallography in two main ways: In the Computer Programs section, programs are presented within standard fully refereed papers. See Notes for Authors for guidelines on the submission of Computer Programs.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, or age, in accordance with the Statutes of the International Council for Science.SDP for Windows Complete crystallographic software package for small molecule structures, including data reduction, structure solution and refinement, calculation of derived parameters, real-time interactive graphics, presentation graphics and preparation of text and tables for publication. Windows 3.1, Windows 95 and Windows 98.Acta Crystallographica Section E: Crystallographic Communications is the IUCr's open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds with validated structures.Commission on High Pressure. At the 14th Congress in Perth, in 1987, a High-Pressure Group was established within the Commission on Crystallographic Apparatus to represent and support high-pressure crystallography. The subsequent decade saw an extraordinary growth in the range and quality of high-pressure diffraction studies – particularly using powder methods – on both synchrotron and ...Crystallography and related science Journals Online. The IUCr is a scientific union serving the interests of crystallographers and other scientists employing crystallographic methods.Phaser is a program for phasing macromolecular crystal structures by both molecular replacement and experimental phasing methods. The novel phasing algorithms implemented in Phaser have been developed using maximum likelihood and multivariate statistics. For molecular replacement, the new algorithms have proved to be significantly better than traditional methods in discriminating correct ...IUCr Commission on Magnetic Structures. The Commission on Magnetic Structures (CMS) was established ad interim by the Executive Committee in January 2011 and confirmed at the Madrid General Assembly in August 2011. It’s primary purpose is to facilitate research on the discovery and communication of magnetic structures in magnetically ordered materials; and its present focus is to cultivate a ...
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