Results 11 to 20 of about 119,691 (156)

Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions [PDF]

Journal of Cheminformatics, 2023
Published reports of chemical compounds often contain multiple machine-readable descriptions which may supplement each other in order to yield coherent and complete chemical representations.
Andrius Merkys, Antanas Vaitkus, Algirdas Grybauskas, Aleksandras Konovalovas, Miguel Quirós, Saulius Gražulis   +5 more
doaj   +3 more sources

Crystallography in the Spaces E<sup>2</sup>, E<sup>3</sup>, E<sup>4</sup>, E<sup>5</sup> ...N<sup>0</sup>II Isomorphism Classes and Study of Five Crystal Families of Space E<sup>5</sup>

, 2015
In the paper N0II, we describe some isomorphism classes and we apply their properties to the study of five crystal families of space E5. The names of these families are the following ones (monoclinic di iso squares)-al, decadic-al, (monoclinic di iso ...
R. Veysseyre, D. Weigel, T. Tâm Nguyên Phan, H. Veysseyre   +3 more
openalex   +3 more sources

Crystallography in Spaces E<sup>2</sup>, E<sup>3</sup>, E<sup>4</sup>, E<sup>5</sup> ...N<sup>0</sup>I Isomorphism Classes: Properties and Applications to the Study of Incommensurate Phase Structures, Molecular Symmetry Groups and Crystal Families of Space E<sup>5</sup

, 2015
This paper mainly consists of the classification of all crystallographic point groups of n-dimensional space with n ≤ 6 into different isomorphism classes.
R. Veysseyre, D. Weigel, T. Tâm Nguyên Phan, H. Veysseyre   +3 more
openalex   +3 more sources

Prehistory of the Concept of Mathematical Structure: Isomorphism Between Group Theory, Crystallography, and Philosophy

The Mathematical intelligencer, 2012
Benoît Timmermans
semanticscholar   +3 more sources

Fundamental motifs and parity within the crystallographic point groups. [PDF]

J Appl Crystallogr
The Hasse diagram of the 3D point‐group classes is built with six motifs that have a well defined parity that determines their structure. Of the seven crystal systems, three are built with odd motifs, three are built with even motifs and the last one, the monoclinics, is `ambidextrous' as they are built with both.This paper analyzes the Hasse diagram ...
Julian MM, Macauley M.
europepmc   +2 more sources

Evolution of macromolecular crystallography beamlines at the Swiss Light Source and SwissFEL. [PDF]

J Synchrotron Radiat
This review examines two decades of continuous development in macromolecular crystallography beamlines at the Swiss Light Source, along with recent contributions from SwissFEL, in the broader context of the evolution of macromolecular crystallography at synchrotron and X‐ray free‐electron laser facilities.This review highlights the development and ...
Wang M.
europepmc   +2 more sources

Standards for MicroED. [PDF]

Acta Crystallogr C Struct Chem
With an increasing number of refined MicroED structures available to the community, lessons can be learned of their profiles and quality, as well as of best practices.As the electron diffraction technique MicroED gains momentum and is increasingly embraced by researchers in both academia and industry, we have the opportunity to familiarize ourselves ...
Unge J, Nannenga BL, Oliver AG, Gonen T.
europepmc   +2 more sources

Evaluation of the data-collection strategy for room-temperature micro-crystallography studied by serial synchrotron rotation crystallography combined with the humid air and glue-coating method

Acta Crystallographica Section D: Structural Biology, 2021
A new room-temperature (RT) data-collection method for microcrystals was developed by combining serial synchrotron rotation crystallography with the humid air and glue-coating method.
K. Hasegawa, S. Baba, T. Kawamura, Masaki Yamamoto, T. Kumasaka   +4 more
semanticscholar   +1 more source

Automated Data Merging, Analysis and Structure Solution in RAPD2 [PDF]

Structural Dynamics
In the current regime of fast data acquisition and vast computing power, automated data processing coupled to data analysis and structure solution should be the norm.
Kay Perry, Frank V Murphy, David Neau, Jonathan Schuermann   +3 more
doaj   +1 more source

Structure of catalase determined by MicroED. [PDF]

, 2014
MicroED is a recently developed method that uses electron diffraction for structure determination from very small three-dimensional crystals of biological material.
Gonen, Tamir, Hattne, Johan, Nannenga, Brent L, Reyes, Francis E, Shi, Dan   +4 more
core   +1 more source