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.
Documentation
Downloads
- Software packageVersion: 0.8.0http://www.desy.de/~twhite/crystfel/crystfel-0.8.0.tar.gz