molecular docking software

Chuck Miller rellim at MAILHOST.TCS.TULANE.EDU
Fri May 28 23:29:28 EST 1999

Hi all,

A new version (1.1) of the free single-molecule, multi-resolution
docking package went online at URL http://chemcca10.ucsd.edu/~situs

Some of the new features are:

- A more powerful and more accurate clustering algorithm to
correlate features within structural data sets.

- Electron microscopy: support of ASCII, CCP4, SPIDER, and MRC file
formats, map file export in CCP4 format for visualization e.g.
with Swiss PDB Viewer

- Small-angle X-ray scattering: Support for docking of crystal
structures to bead models from SAXS refinements (Chacon et al.,
Biophys. J. 74:2760-2775, 1998)

More info can be found online and in the current issue of J. Structural
Biology (1999) 125:185-195, URL http://www.academicpress.com/jsb


Willy Wriggers, Ph.D. -- URL
Tel: (619)534-2913. Fax: (619)534-7042. E-mail:
wriggers at ucsd.edu

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