ECM31, Oviedo and ECA Crystallographic Computing School, Mieres

Aug 292018
 

The 31st European Crystallography Meeting was held in Oviedo, Spain from 22-26 August 2018.

During the meeting George Sackman presented a poster (MS10-P05) on recent neutron diffraction work with Richard Cooper and Alison Edwards: Disordered or not: A cautionary tale when inferring proton disorder solely from X-ray and computational data.

Richard Cooper gave a presentation (GI-MS47-O5) in the Saturday afternoon session How to… take your next steps in crystallography, based on experience of a career which despite including several areas of science and organisations rarely strayed outside the OX postcode.

On Sunday afternoon Amber Thompson presented (MS27-O5) Adventures in modulation: derivatives of Barluenga’s reagent, including work from Lewis Morgan, Yejin Kim, Emma McKinley, Jack Blandy, Claire Murray and Kirsten Christensen, in the session Quasicrystals: theory and
experiment.

Prior to the meeting, Richard Cooper was a tutor at the ECA Crystallographic Computing School in Mieres, organised by the ECA SIG 9 and gave a lecture on Programming Crystallographic Symmetry.

Mr. Jeremy P. Law

Mar 162011
 

Jeremy’s research revolves around using various techniques (NMR, crystallography and DFT calculations) to provide information about exactly where hydrogen atoms are located in crystal structures, and exploring the merits and shortcomings of the various techniques for this purpose. When he isn’t trying to persuade a supercomputer to calculate what he wants, he enjoys playing the trumpet with the Oxford University Big Band, plays squash and designs prize-winning posters.

BCA/PCG Poster Prize

Nov 172010
 

Jeremy Law, a Part II student working with Dr Nick Rees and Dr David Watkin, has won a prize for his poster entitled “Alternative Approaches to Hydrogen Atom Location in the Solid State”. He presented his work to the joint ISIS Crystallography User Group and British Crystallographic Association PCG/SCMP meeting “Current Research in Physical Crystallography”

CRYSTALS Enhancements: Dealing with Hydrogen Atoms in Refinement

Jun 292010
 

J. Appl. Cryst. (2010), 43, 1100-1107.    [ doi:10.1107/S0021889810025598 ]

Because they scatter X-rays weakly, H atoms are often abused or neglected during structure refinement. The reasons why the H atoms should be included in the refinement and some of the consequences of mistreatment are discussed along with selected real examples demonstrating some of the features for hydrogen treatment that can be found in the software suite CRYSTALS.

Hydrogen addition in CRYSTALS

Hydrogen addition in CRYSTALS

Electronic reprints:

Publisher’s copy:

BCA Spring Meeting 2010

Apr 152010
 
Susan Huth presents Kirsten Christensen with the Durward Cruickshank Award

Susan Huth presents Kirsten Christensen with the Durward Cruickshank Award

The final dinner of the British Crystallographic Association Spring Meeting in Warwick was interrupted, as always, with the prize winning awards. Amber Thompson was awarded the International Union of Crystallography Prize (a copy of International Tables) for her explanation of the advantages of choosing non-standard space groups. Kirsten Christensen was awarded the Durward Cruickshank prize for a young crystallographer who had made an outstanding contribution to crystallography.

 

 

Other contributions include:

N. David Brown, James Haestier, Mustapha Sadki, Amber L. Thompson & David J. Watkin
matchbOx:  Automatic Structure Matching to Facilitate Crystallographic Refinement (YC Presentation)

Kirsten E. Christensen, Christopher J. Serpell, Nicholas E. Evans & Paul D. Beer
Pushing the Boundaries of Small Molecule Crystallography:  The Challenging Structure of a Macrocyclic Anion Sensor (Poster)

Richard I. Cooper, Amber L. Thompson & David J. Watkin
The Hydrogen Challenge:  Where are we Now? (Poster)

Christopher J. Serpell & Paul D. Beer
Refinement of Large Supramolecular Structures (Presentation)

David J. Watkin
Dealing with Difficult Data (Session Chair)