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GPU-accelerated multitiered iterative phasing algorithm for fluctuation X-ray scattering

Pranay Reddy Kommera1,2, Vinay Ramakrishnaiah1, Christine Sweeney1

  • 1Applied Computer Science, Los Alamos National Laboratory, Los Alamos, NM 87545, USA.

Journal of Applied Crystallography
|August 25, 2021
PubMed
Summary

The multitiered iterative phasing (MTIP) algorithm accelerates macromolecular structure determination using GPUs. This GPU acceleration significantly enhances computational performance and enables cross-platform portability.

Keywords:
AMD GPUsCUDA programmingGPU accelerationHIP programmingNVIDIA GPUsfluctuation X-ray scatteringmultitiered iterative phasingpolar Fourier transformspherical harmonic transform

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