From: Thomas White
Date: 14 March 2012 15:34
Hi all,
This is just to draw the attention, of anyone who might find it
interesting, to the availability of the first public version of
CrystFEL: a new software suite for analysis of "serial femtosecond
crystallography" data acquired using free-electron laser sources such
as the Linac Coherent Light Source (LCLS). Early versions of CrystFEL
powered much of the analysis for the first demonstration of this
technique on small crystals of photosystem I which was published (and
discussed here) back in February last year. I described some aspects
of CrystFEL and its algorithms in my talk at the CCP4 study weekend a
couple of months ago.
CrystFEL comprises programs for indexing and integrating diffraction
patterns, scaling and merging intensities, simulating patterns,
calculating figures of merit for the data and visualising the results.
Supporting scripts are provided to help at all stages, including
importing data into CCP4 for further processing. The underlying shared
library ('libcrystfel') means that you can use CrystFEL's features in
your own programs or even incorporate them into other frameworks.
If you're interested, you can read more on the CrystFEL website (link
below) and in an article in Journal of Applied Crystallography which
will be published very soon (hopefully tomorrow).
http://www.desy.de/~twhite/crystfel/index.html
Questions, comments and bug reports/fixes to this address.
Thanks for reading!
Tom
Date: 14 March 2012 15:34
Hi all,
This is just to draw the attention, of anyone who might find it
interesting, to the availability of the first public version of
CrystFEL: a new software suite for analysis of "serial femtosecond
crystallography" data acquired using free-electron laser sources such
as the Linac Coherent Light Source (LCLS). Early versions of CrystFEL
powered much of the analysis for the first demonstration of this
technique on small crystals of photosystem I which was published (and
discussed here) back in February last year. I described some aspects
of CrystFEL and its algorithms in my talk at the CCP4 study weekend a
couple of months ago.
CrystFEL comprises programs for indexing and integrating diffraction
patterns, scaling and merging intensities, simulating patterns,
calculating figures of merit for the data and visualising the results.
Supporting scripts are provided to help at all stages, including
importing data into CCP4 for further processing. The underlying shared
library ('libcrystfel') means that you can use CrystFEL's features in
your own programs or even incorporate them into other frameworks.
If you're interested, you can read more on the CrystFEL website (link
below) and in an article in Journal of Applied Crystallography which
will be published very soon (hopefully tomorrow).
http://www.desy.de/~twhite/crystfel/index.html
Questions, comments and bug reports/fixes to this address.
Thanks for reading!
Tom
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