Subject: Web chemistry

From: Dean Goddette <[email-masked]>
Date: Mon, 3 Jun 1996 17:20:01 -0500 (CDT)

I would like to update people on our (Tripos') progress in the area of web
chemistry and let you know about a new pharmacophore detection tool using
web technology called GASP. 

GASP is based on work in the Willett laboratory at Sheffield University
(Jones, Willett & Glen, J. Comp.-Aided Mol. Design (1995) 9:532-549. The
interface includes an updated visualization Java applet and deals with
issues surrounding job control via the web. 

As many of you have seen, we previously implemented a prototype web
application called "Fetch and Sketch" which can be accessed at
www.tripos.com. 

The response to the prototype has been overwhelmingly positive. In fact,
the WebSketch applet was voted one of the best Java applets of the year by
Gamelan. My thanks to everyone who visited the site. The comments were
extremely helpful. 

GASP is now installed on www.tripos.com - this is a complete installation
of the program, not a mock-up, except that launching jobs has been
disabled. 

Please check it out and sent us your comments.  All feedback is welcome.

------------------------------------------------------------------------------
Dean Goddette, Ph.D.
Senior Product Manager
TRIPOS, Inc., 1699 S. Hanley Road, St. Louis, MO 63144
ph.  (314) 647-1099 X3386          fax: (314) 647-9241

Tripos Announces Release of New Web-based Pharmacophore Detection Program

Tripos is pleased to announce the release of GASP v1.0, a program for 
molecular alignment and pharmacophore detection. 

GASP produces better alignments than other programs because of its unique
fitness function coupled with a genetic algorithm that drives the
conformational search. No precalculation of conformations is needed!

GASP has been implemented for use on internal company networks for sharing
information with other scientists. Using tools developed for the Internet,
GASP results can be viewed by scientists anywhere in the company on any
platform. The only requirements are that the chemist be connected to the
company network and have a "browser". GASP handles the rest. 

GASP can be previewed by visiting www.tripos.com. This is a complete 
installation of GASP, not a mock-up! Launching of jobs has been disabled 
but visitors can get a feel for the program directly.

Tripos strongly recommends the use of Netscape Navigator 2 with GASP. 
GASP uses Java for some of the interactive visualization tools. Other 
browsers can be used but only static images will be displayed.

GASP is based on work in the Willett laboratory at Sheffield University
(Jones, Willett & Glen, J. Comp.-Aided Mol. Design (1995) 9:532-549. 

------------------------------------------------------------------------------
Dean Goddette, Ph.D.
Senior Product Manager
TRIPOS, Inc., 1699 S. Hanley Road, St. Louis, MO 63144
ph.  (314) 647-1099 X3386          fax: (314) 647-9241