Subject: TINKER 4.0 and Force Field Explorer are Available

From: Jay Ponder <[email-masked]>
Date: Wed, 02 Apr 2003 17:06:07 -0600

Dear Computational Chemistry List,

A major, new release of the TINKER Molecular Modeling Package,
version 4.0 dated February 2003, is available from the Ponder
Lab web site at http://dasher.wustl.edu/ or via anonymous ftp
download from dasher.wustl.edu in the /pub/tinker area.

TINKER is a modular, general package for molecular mechanics and
dynamics with some special facilities and parameter sets for
biopolymers. It currently supports several force fields, including
AMBER94, AMBER96, CHARMM19, CHARMM27, MM2, MM3, OPLS-UA, OPLS-AA
and our own AMOEBA polarizable atomic multipole force field. The
software contains many advanced algorithms for energy minimization,
molecular dynamics, distance geometry and global search, including
some methods that are not readily available elsewhere.

In addition, TINKER version 4.0 comes with a new Java GUI which
is named Force Field Explorer. This initial public release of the
GUI requires Java 1.4 or later and the Java3D extensions. It has
been tested on Linux and Windows, and should run correctly on any
platform that supports recent Java versions and Java3D. Mac OS X
does not currently support Java3D, and hence will not run the GUI.
Force Field Explorer is tightly integrated with the TINKER code
via a socket mechanism, and can be used to setup, launch, control
and visualize TINKER calculations and results.

TINKER and Force Field Explorer are distributed with full source
code, a User's Guide, and several examples and test molecule files.
Directions are supplied for building the package on most commonly
used CPU/OS combinations. Prebuilt executables limited to a maximum
of 10000 atoms are also provided for Linux, Windows and Mac OS X.

Please see the web site above for further information. We ask those
who make significant use of TINKER to complete, sign, and return by
regular mail the license form available on our web site. We keep all
the returned forms and use them to help justify further development
of the package. Comments, questions and suggestions for future
improvements should be sent to [email-masked].

                        Best wishes, Jay Ponder

-- 
Jay W. Ponder                          Phone:  (314) 362-4195
Biochemistry, Box 8231                 Fax:    (314) 362-7183
Washington University Medical School
660 South Euclid Avenue                Email:  [email-masked]
St. Louis, Missouri 63110  USA         WWW:    http://dasher.wustl.edu/