Citations
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Journal ArticleDOI
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
A customizable software for fast reduction and analysis of large X-ray scattering data sets: applications of the new DPDAK package to small-angle X-ray scattering and grazing-incidence small-angle X-ray scattering
Gunthard Benecke,Wolfgang Wagermaier,Chenghao Li,Matthias Schwartzkopf,Gero Flucke,Rebecca M. Hoerth,Rebecca M. Hoerth,Ivo Zizak,Manfred Burghammer,Manfred Burghammer,Ezzeldin Metwalli,Peter Müller-Buschbaum,Martin Trebbin,Stephan Förster,Oskar Paris,Oskar Paris,Stephan V. Roth,Peter Fratzl +17 more
TL;DR: DPDAK is a software for simple and fast on- and offline reduction and analysis of X-ray scattering data that is an open-source software with a plug-in structure allowing tailored extensions.
Journal ArticleDOI
High-pressure crystallography
TL;DR: New areas of thermodynamic exploration of phase diagrams, polymorphism, transformations between different phases and cohesion forces, structure-property relations, and a deeper understanding of matter at the atomic scale in general are accessible with the high-pressure techniques in hand.
Journal ArticleDOI
Forward modeling method for microstructure reconstruction using x-ray diffraction microscopy: Single-crystal verification
TL;DR: In this article, a forward modeling method for quantitatively reconstructing the geometry and orientation of microstructural features inside of bulk samples from high-energy x-ray diffraction microscopy data is presented.
Journal ArticleDOI
Ku and DNA-dependent Protein Kinase Dynamic Conformations and Assembly Regulate DNA Binding and the Initial Non-homologous End Joining Complex
Michal Hammel,Yaping Yu,Brandi L. Mahaney,Brandon Cai,Ruiqiong Ye,Barry M. Phipps,Robert P. Rambo,Greg L. Hura,Martin Pelikan,Sairei So,Ramin M. Abolfath,David J. Chen,Susan P. Lees-Miller,John A. Tainer,John A. Tainer +14 more
TL;DR: Results show how protein and DNA interactions initiate large Ku and DNA-PKcs rearrangements to control DNA- PK biological functions as a macromolecular machine orchestrating assembly and disassembly of the initial NHEJ complex on DNA.
Journal ArticleDOI
Crystallographic Tool Box (CrysTBox): automated tools for transmission electron microscopists and crystallographers.
Miloslav Klinger,Aleš Jäger +1 more
TL;DR: The CrysTBox software for electron diffraction analysis and visualization offers an automated zone axis determination using selected area diffraction, convergent beam diffraction and nanodiffraction patterns, ring diffraction evaluation, and interactive crystal visualization in both direct and reciprocal space.