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
Half a century of Ramachandran plots
TL;DR: In the present review, some of the most relevant aspects of this fifty-year history are summarized, from the original ideas of Gopalasamudram Narayana Ramachandran to subsequent revisions and to applications in structural biology.
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Improving Radiation-Damage Substructures for Rip.
TL;DR: Downscaling proved to be necessary for the solution of elastase, lysozyme and thaumatin and reduced the number of SHELXE iterations in the other cases, and the combination of downscaling and substructure iteration provides important benefits for the phasing of macromolecular structures using radiation damage.
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Thermoelectric transport properties of CaMg 2 Bi 2 , EuMg 2 Bi 2 , and YbMg 2 Bi 2
Andrew F. May,Michael A. McGuire,David J. Singh,Jie Ma,Olivier Delaire,Ashfia Huq,Wei Cai,Hsin Wang +7 more
TL;DR: In this article, the authors investigated the thermoelectric transport properties of polycrystalline samples of the same empirical formula and synthesized polycrystaline samples with different carrier densities for the CaAl, EuMg and YbMg structures.
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OnDA: online data analysis and feedback for serial X-ray imaging
Valerio Mariani,Andrew J. Morgan,Chun Hong Yoon,Thomas J. Lane,Thomas A. White,Christopher P. O'Grady,Manuela Kuhn,Steve Aplin,Jason E. Koglin,Anton Barty,Henry N. Chapman +10 more
TL;DR: The software package OnDA is described, which provides online data analysis and feedback for serial X-ray imaging and provides real-time feedback on the performance of the software.
Journal ArticleDOI
Crystallographic studies of gas sorption in metal-organic frameworks.
TL;DR: The role of crystallography in characterizing adsorbed gas molecules and changes in framework structure upon gas sorption is reviewed.