Subject: SCWRL3.0 for protein side-chain prediction

From: "Roland L. Dunbrack" <RL_Dunbrack/at/fccc.edu>
Date: Tue, 8 Jul 2003 15:23:16 -0400

SCWRL3.0, a program for predicting protein side-chain conformations for 
a given backbone,
is now available. SCWRL3.0 uses a new algorithm based on graph theory 
that is much faster
than previous versions of SCWRL, and faster than any other available 
programs for protein
side-chain prediction.

Some highlights:

- very fast algorithm for side-chain prediction. A set of 180 test 
proteins comprising 34,342 side
chains takes 404 seconds.
- increased accuracy comparing to previous SCWRL versions with 82.6% 
correct chi1 and 73.7% correct chi1+2.
- preserving residue numbering and chain IDs. Many programs renumber 
residues from 1 to N and strip
chain IDs.
- sequence replacement for comparative modeling and protein design
- distributed as executable binaries for most popular operating systems 
(Linux, Windows, Mac OS X)
- easy installation procedure
- free academic/non-profit license
- paper to appear in Protein Science, Sept. 2003 (preprint available on 
request)

Visit http://dunbrack.fccc.edu/scwrl3 for more information and download 
options.

Sincerely yours,
Adrian Canutescu and Roland Dunbrack

* Roland L. Dunbrack, Jr., Ph. D.
* Member
* Institute for Cancer Research
* Fox Chase Cancer Center
* 333 Cottman Avenue
* Philadelphia PA 19111
* (215) 728-2434
* (215) 728-2412 (fax)
* RL_Dunbrack/at/fccc.edu
* http://dunbrack.fccc.edu (scientific research)
* http://dunbrack.org/ (genealogy)