Subject: X-Score version 1.2 is available now

From: "Renxiao Wang" <renxiao|at|med.umich.edu>
Date: Fri, 05 Dec 2003 13:00:18 -0500

Dear CCLers,

We would like to announce the release of X-Score version 1.2. X-Score
is an empirical scoring function developed for protein-ligand binding
affinity computation. Since its original release in late 2002, we have
registered several hundreds of users all over the world. 

Compared to its previous version, X-Score version 1.2 has substantial
improvements in many aspects:

1. All of the three scoring functions implemented in X-Score have been
re-calibrated using a large set of 800 protein-ligand complexes. Thus,
they will give more robust results for a wider range of biomolecular
systems. 
2. Users now have greater controls on the scoring functions used in
computation. They are allowed to adjust the coefficient of each term to
emphasize or underscore certain type of interactions between the protein
and the ligand molecules.
3. More detailed outputs are available, which tabulate the role of each
atom in binding score computation. This information helps users to
analyze structure-affinity relationship in a more transparent way.
4. New utilities have been added to aid users to prepare the input
structures more conveniently and more accurately.
5. Some bugs found in the previous version have been fixed. Many parts
of the program have been optimized to give better performance. 
6. User manual has been largely rewritten to reflect the many changes
in version 1.2. New examples have been provided in the X-Score package
for users to practice with this program.

The X-Score v1.2 package can be downloaded for free from
http://sw16.im.med.umich.edu/software/xtool/. New users are required
to go through a registration procedure. Current users of X-Score may log
on our server and dowload the program by following the instructions we
sent to you before.

Sincerely yours,

Renxiao Wang, Ph.D.
Research Investigator
Department of Internal Medicine
University of Michigan Medical School
renxiao|at|med.umich.edu