Citations
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A short history of SHELX
TL;DR: This paper could serve as a general literature citation when one or more of the open-source SH ELX programs (and the Bruker AXS version SHELXTL) are employed in the course of a crystal-structure determination.
Journal ArticleDOI
The Protein Data Bank
Helen M. Berman,John D. Westbrook,Zukang Feng,Gary L. Gilliland,Talapady N. Bhat,Helge Weissig,Ilya N. Shindyalov,Philip E. Bourne +7 more
TL;DR: The goals of the PDB are described, the systems in place for data deposition and access, how to obtain further information and plans for the future development of the resource are described.
Journal ArticleDOI
Crystal structure refinement with SHELXL
TL;DR: New features added to the refinement program SHELXL since 2008 are described and explained.
Journal ArticleDOI
Coot: model-building tools for molecular graphics.
Paul Emsley,Kevin Cowtan +1 more
TL;DR: CCP4mg is a project that aims to provide a general-purpose tool for structural biologists, providing tools for X-ray structure solution, structure comparison and analysis, and publication-quality graphics.
Journal ArticleDOI
PHENIX: a comprehensive Python-based system for macromolecular structure solution
Paul D. Adams,Paul D. Adams,Pavel V. Afonine,Gábor Bunkóczi,Vincent B. Chen,Ian W. Davis,Nathaniel Echols,Jeffrey J. Headd,Li-Wei Hung,Gary J. Kapral,Ralf W. Grosse-Kunstleve,Airlie J. McCoy,Nigel W. Moriarty,Robert D. Oeffner,Randy J. Read,David S. Richardson,Jane S. Richardson,Thomas C. Terwilliger,Peter H. Zwart +18 more
TL;DR: The PHENIX software for macromolecular structure determination is described and its uses and benefits are described.
References
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Journal ArticleDOI
Crystallography Open Database - an open-access collection of crystal structures
Saulius Gražulis,Daniel Chateigner,Robert T. Downs,Alexandre F. T. Yokochi,Miguel Quirós,Luca Lutterotti,Elena Manakova,Justas Butkus,Peter Moeck,Armel Le Bail +9 more
TL;DR: The Crystallography Open Database is an ongoing initiative by crystallographers to gather all published inorganic, metal–organic and small organic molecule structures in one database, providing a straightforward search and retrieval interface.
Journal ArticleDOI
Phenomenological model of anisotropic peak broadening in powder diffraction
TL;DR: In this paper, a model of the multi-dimensional distribution of lattice metrics within a powder sample is developed, leading naturally to a few parameters which can be varied to achieve optimal line-shape fits.
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Presenting your structures: the CCP4mg molecular-graphics software.
TL;DR: The CCP4 molecular-graphics program now uses the Qt framework to provide a modern look and feel and there are many new features including rendering for publication-quality images and sequence alignment.
Journal ArticleDOI
Reducing the Environmental Sensitivity of Yellow Fluorescent Protein MECHANISM AND APPLICATIONS
TL;DR: Citrine is superior to all previous YFPs except when pH or halide sensitivity is desired and is particularly advantageous within genetically encoded fluorescent indicators of physiological signals.
Journal ArticleDOI
Texture and Anisotropy
TL;DR: A review of the literature on preferred orientation of olivine deformation can be found in this paper, where the authors highlight some of the issues with the prevailing view that seismic fast directions align with the flow direction.