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Dragonfly: an implementation of the expand-maximize-compress algorithm for single-particle imaging.

ABSTRACT: Single-particle imaging (SPI) with X-ray free-electron lasers has the potential to change fundamentally how biomacromolecules are imaged. The structure would be derived from millions of diffraction patterns, each from a different copy of the macromolecule before it is torn apart by radiation damage. The challenges posed by the resultant data stream are staggering: millions of incomplete, noisy and un-oriented patterns have to be computationally assembled into a three-dimensional intensity map and then phase reconstructed. In this paper, the Dragonfly software package is described, based on a parallel implementation of the expand-maximize-compress reconstruction algorithm that is well suited for this task. Auxiliary modules to simulate SPI data streams are also included to assess the feasibility of proposed SPI experiments at the Linac Coherent Light Source, Stanford, California, USA.

SUBMITTER: Ayyer K

PROVIDER: S-EPMC4970497 | biostudies-literature | 2016 Aug

REPOSITORIES: biostudies-literature

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<i>Dragonfly</i>: an implementation of the expand-maximize-compress algorithm for single-particle imaging.

Ayyer Kartik K Lan Ti-Yen TY Elser Veit V Loh N Duane ND

Journal of applied crystallography 20160620 Pt 4

Single-particle imaging (SPI) with X-ray free-electron lasers has the potential to change fundamentally how biomacromolecules are imaged. The structure would be derived from millions of diffraction patterns, each from a different copy of the macromolecule before it is torn apart by radiation damage. The challenges posed by the resultant data stream are staggering: millions of incomplete, noisy and un-oriented patterns have to be computationally assembled into a three-dimensional intensity map an ...[more]

PMID: 27504078

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