Works matching DE "COMPUTERS in crystallography"

Results: 11

MAGNDATA: towards a database of magnetic structures. I. The commensurate case.

Published in:

Journal of Applied Crystallography, 2016, v. 49, n. 5, p. 1750, doi. 10.1107/S1600576716012863

By:

Gallego, Samuel V.;
Perez-Mato, J. Manuel;
Elcoro, Luis;
Aroyo, Mois I.;
Madariaga, Gotzon;
Tasci, Emre S.;
Hanson, Robert M.;
Momma, Koichi

Publication type:

Article

PyEMAPS: An Open Source Python Package for Transmission Electron Diffraction Simulations and Crystallographic Computing.

Published in:

2023

By:

Zhu, X R;
Zuo, Jian-Min

Publication type:

Abstract

From Data to Discovery: Maximizing the Value of Experiments with Machine Learning Software.

Published in:

2023

By:

Ziatdinov, Maxim

Publication type:

Abstract

Enabling X-ray free electron laser crystallography for challenging biological systems from a limited number of crystals.

Published in:

eLife, 2015, p. 1, doi. 10.7554/eLife.05421

By:

Uervirojnangkoorn, Monarin;
Zeldin, Oliver B.;
Lyubimov, Artem Y.;
Brunger, Axel T.;
Weis, William I.;
Hattne, Johan;
Brewster, Aaron S.;
Sauter, Nicholas K.

Publication type:

Article

ISPyB: an information management system for synchrotron macromolecular crystallography.

Published in:

Bioinformatics, 2011, v. 27, n. 22, p. 3186, doi. 10.1093/bioinformatics/btr535

By:

Delagenière, Solange;
Brenchereau, Patrice;
Launer, Ludovic;
Ashton, Alun W.;
Leal, Ricardo;
Veyrier, Stéphanie;
Gabadinho, José;
Gordon, Elspeth J.;
Jones, Samuel D.;
Levik, Karl Erik;
McSweeney, Seán M.;
Monaco, Stéphanie;
Nanao, Max;
Spruce, Darren;
Svensson, Olof;
Walsh, Martin A.;
Leonard, Gordon A.

Publication type:

Article

Journal of Chemical Research: Instructions for Authors.

Published in:: Journal of Chemical Research, 2009, v. 2009, n. 12, p. 1, doi. 10.1177/17475198009012003
Publication type:: Article

A log-likelihood-gain intensity target for crystallographic phasing that accounts for experimental error.

Published in:

Acta Crystallographica: Section D, Structural Biology, 2016, v. 72, n. 3, p. 375, doi. 10.1107/S2059798315013236

By:

Read, Randy J.;
McCoy, Airlie J.

Publication type:

Article

Magnetoelectric and magnetoelastic interactions in NdFe3(BO3)4 multiferroics.

Published in:

JETP Letters, 2006, v. 83, n. 11, p. 509, doi. 10.1134/S0021364006110099

By:

Zvezdin, A. K.;
Vorob'ev, G. P.;
Kadomtseva, A. M.;
Popov, Yu. F.;
Pyatakov, A. P.;
Bezmaternykh, L. N.;
Kuvardin, A. V.;
Popova, E. A.

Publication type:

Article

X-ray absorption spectroscopy at a protein crystallography facility: the Canadian Light Source beamline 08B1-1.

Published in:

Journal of Synchrotron Radiation, 2012, v. 19, n. 6, p. 887, doi. 10.1107/S090904951204023X

By:

Cotelesage, Julien J. H.;
Grochulski, Pawel;
Pickering, Ingrid J.;
George, Graham N.;
Fodje, Michel N.

Publication type:

Article

Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database.

Published in:

Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0279-6

By:

Quirós, Miguel;
Gražulis, Saulius;
Girdzijauskaitė, Saulė;
Merkys, Andrius;
Vaitkus, Antanas

Publication type:

Article

Crystal structure refinement with SHELXL.

Published in:

Acta Crystallographica Section C: Structural Chemistry, 2015, v. 71, n. 1, p. 3, doi. 10.1107/S2053229614024218

By:

Sheldrick, George M.

Publication type:

Article