[phenixbb] The SASTBX webserver

Peter Zwart PHZwart at lbl.gov
Fri Jun 3 16:22:08 PDT 2011

Dear All,

I would like to advertise our online server featuring some basic SAXS
analyses tools.
The website


has functionality for

1. Model intensity calculation (using a Spherical Harmonic Expansion;
sastbx.she )
2. Shape determination (or better: Shape Recovery; sastbx.shapeup)
3. Model alignment (sastbx.zalign)

The applications we have developed are build using the SASTBX, an
extension of the CCTBX (http://cctbx.sf.net) framework, dedicated to
the analyses of SAXS data.

The model intensity calculation engine uses an approach similar to
CRYSOL and (in our hands) provides model SAXS data of a similar
quality as FOXS and CRYSOL.

The shape recovery procedure (shapeup) provides an estimate of the
shape typically within 1 minute without the need for preprocessing the
data (i.e. just feed it your background subtracted SAXS curve and
nothing more). You can provide a known model as well for comparison.
Some example shape recovery results can be found here:


The examples were prepared utilizing data provided by Edward Snell and
coworkers (Grant, T. D., Luft, J. R., Wolfley, J. R., Tsuruta, H.,
Martel, A., Montelione, G. T. and Snell, E. H. (2011), Small angle
X-ray scattering as a complementary tool for high-throughput
structural studies. Biopolymers, 95: 517–530).

Feel free to contact me or Haiguang Liu (HGLiu at lbl.gov) if you
encounter any problems or have questions.


Peter Zwart

P.H. Zwart
Research Scientist
Berkeley Center for Structural Biology
Lawrence Berkeley National Laboratories
1 Cyclotron Road, Berkeley, CA-94703, USA
Cell: 510 289 9246
BCSB:      http://bcsb.als.lbl.gov
PHENIX:   http://www.phenix-online.org
SASTBX:  http://sastbx.als.lbl.gov

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