Citations
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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.
Journal ArticleDOI
High-pressure neutron diffraction study of l-serine-I and l-serine-II, and the structure of l-serine-III at 8.1 GPa
TL;DR: Hirshfeld surface fingerprint plots show that D...D interactions become more numerous, while hydrogen bonds actually begin to lengthen in the transition from phase II to III, and it is proposed that the phase transition to phase III that occurs between 7.3 and 8.1 GPa relieves the strain that has built up in this region of the structure.
Journal ArticleDOI
Instrumental setup for high‐throughput small‐ and wide‐angle solution scattering at the X33 beamline of EMBL Hamburg
Clement E. Blanchet,Alexey Zozulya,Alexey Kikhney,Daniel Franke,Peter V. Konarev,Weifeng Shang,Robbert Klaering,Bernd Robrahn,Christoph Hermes,Florent Cipriani,Dmitri I. Svergun,Manfred Roessle +11 more
TL;DR: In this paper, a setup for automated high-throughput measurements of small-angle X-ray scattering (SAXS) from macromolecular solutions on the bending-magnet beamline X33 of EMBL at the storage ring DORIS-III (DESY, Hamburg).
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CONSCRIPT: a program for generating electron density isosurfaces for presentation in protein crystallography
Michael C. Lawrence,Paul Bourke +1 more
TL;DR: Varghese et al. as discussed by the authors presented a program for electron density isosurfaces for protein crystallography using MOLSCRIPT and Raster3D as described in the text.
References
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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.
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Phaser crystallographic software
Airlie J. McCoy,Ralf W. Grosse-Kunstleve,Paul D. Adams,Martyn Winn,Laurent C. Storoni,Randy J. Read +5 more
TL;DR: A description is given of Phaser-2.1: software for phasing macromolecular crystal structures by molecular replacement and single-wavelength anomalous dispersion phasing.