CrystFEL

CrystFEL processes serial crystallography diffraction data from X-ray free-electron lasers (XFEL) and synchrotron sources to reconstruct and analyze diffraction images for determination of atomic structures of biomolecules.


Key Features:

  • Serial Crystallography Data Processing: Handles diffraction data from serial femtosecond crystallography (SFX) experiments and other serial crystallography datasets collected at XFEL and synchrotron sources.

Scientific Applications:

  • Structural Biology: Reconstruction and analysis of atomic structures of proteins, nucleic acids, and other biomolecules from serial diffraction data.
  • Time-Resolved Studies: Enables analysis of time-resolved SFX datasets from XFEL sources to observe molecular changes over time.

Methodology:

Employs advanced algorithms to process raw diffraction images, with methodology grounded in theoretical frameworks and algorithmic rationale described in primary publications.

Topics

Details

License:
GPL-3.0
Maturity:
Mature
Cost:
Free of charge
Tool Type:
command-line tool
Operating Systems:
Linux
Added:
7/4/2019
Last Updated:
6/16/2020

Operations

Publications

White TA. Processing serial crystallography data with <i>CrystFEL</i>: a step-by-step guide. Acta Crystallographica Section D Structural Biology. 2019;75(2):219-233. doi:10.1107/s205979831801238x. PMID:30821710. PMCID:PMC6400257.

White TA, Kirian RA, Martin AV, Aquila A, Nass K, Barty A, Chapman HN. <i>CrystFEL</i>: a software suite for snapshot serial crystallography. Journal of Applied Crystallography. 2012;45(2):335-341. doi:10.1107/s0021889812002312.

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