Literature DB >> 18156678

The charge flipping algorithm.

Gábor Oszlányi1, András Süto.   

Abstract

This paper summarizes the current state of charge flipping, a recently developed algorithm of ab initio structure determination. Its operation is based on the perturbation of large plateaus of low electron density but not directly on atomicity. Such a working principle radically differs from that of classical direct methods and offers complementary applications. The list of successful structure-solution cases includes periodic and aperiodic crystals using single-crystal and powder diffraction data measured with X-ray and neutron radiation. Apart from counting applications, the paper mainly deals with algorithmic issues: it describes and compares new variants of the iteration scheme, helps to identify and improve solutions, discusses the required data and the use of known information. Finally, it tries to foretell the future of such an alternative among well established direct methods.

Year:  2007        PMID: 18156678     DOI: 10.1107/S0108767307046028

Source DB:  PubMed          Journal:  Acta Crystallogr A        ISSN: 0108-7673            Impact factor:   2.290


  9 in total

Review 1.  Recent developments in phasing and structure refinement for macromolecular crystallography.

Authors:  Paul D Adams; Pavel V Afonine; Ralf W Grosse-Kunstleve; Randy J Read; Jane S Richardson; David C Richardson; Thomas C Terwilliger
Journal:  Curr Opin Struct Biol       Date:  2009-08-21       Impact factor: 6.809

2.  Analysis of rapidly synthesized guest-filled porous complexes with synchrotron radiation: practical guidelines for the crystalline sponge method.

Authors:  Timothy R Ramadhar; Shao Liang Zheng; Yu Sheng Chen; Jon Clardy
Journal:  Acta Crystallogr A Found Adv       Date:  2015-01-01       Impact factor: 2.290

3.  Coherent X-ray diffraction imaging and characterization of strain in silicon-on-insulator nanostructures.

Authors:  Gang Xiong; Oussama Moutanabbir; Manfred Reiche; Ross Harder; Ian Robinson
Journal:  Adv Mater       Date:  2014-06-23       Impact factor: 30.849

4.  Substructure determination using phase-retrieval techniques.

Authors:  Pavol Skubák
Journal:  Acta Crystallogr D Struct Biol       Date:  2018-02-01       Impact factor: 7.652

5.  Stacking sequence variations in vaterite resolved by precession electron diffraction tomography using a unified superspace model.

Authors:  Gwladys Steciuk; Lukáš Palatinus; Jan Rohlíček; Salim Ouhenia; Daniel Chateigner
Journal:  Sci Rep       Date:  2019-06-24       Impact factor: 4.379

6.  A semi-supervised deep-learning approach for automatic crystal structure classification.

Authors:  Satvik Lolla; Haotong Liang; A Gilad Kusne; Ichiro Takeuchi; William Ratcliff
Journal:  J Appl Crystallogr       Date:  2022-07-28       Impact factor: 4.868

7.  Crystallographic phase retrieval method for liquid crystal bicontinuous phases: indicator-based method.

Authors:  Toshihiko Oka
Journal:  Acta Crystallogr A Found Adv       Date:  2022-07-28       Impact factor: 2.331

Review 8.  Crystallography of metal-organic frameworks.

Authors:  Felipe Gándara; Thomas D Bennett
Journal:  IUCrJ       Date:  2014-10-28       Impact factor: 4.769

9.  Reconstruction of three-dimensional molecular structure from diffraction of laser-aligned molecules.

Authors:  Jie Yang; Varun Makhija; Vinod Kumarappan; Martin Centurion
Journal:  Struct Dyn       Date:  2014-07-09       Impact factor: 2.920

  9 in total

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