From adit@Kodak.COM  Mon Feb  8 02:58:51 1993
Date: Mon, 8 Feb 93 07:58:51 EST
From: adit@Kodak.COM (Adi Treasurywala)
Message-Id: <9302081258.AA13640@bcc9.kodak.com>
To: chemistry@ccl.net
Subject: Coordinates of Glutathione S Transferase.



Folks,
	I am looking for the e-mail address of Robert Huber at one of
	the Max Plank Institutes. I would like to get a copy of the
	coordinates of the recently published/released structure of
	Glutathione S transferase. Any and all help appreciated.

Thanks in advance,

Adi M Treasurywala,Sterling Winthrop Pharm. Res. Div.,81 Columbia Turnpike,
Rensselaer, NY 12144 (518)4457042 FAX (518)4458030 INTERNET adit@kodak.com


From richard@TC.Cornell.EDU  Mon Feb  8 04:34:11 1993
Date: Mon, 8 Feb 1993 09:34:11 -0500
From: Richard Gillilan <richard@TC.Cornell.EDU>
Message-Id: <199302081434.AA03489@theory.TC.Cornell.EDU>
To: chemistry@ccl.net
Subject: Your input to MetaCenter visualization


As many of you know, the four national supercomputing centers
are making serious plans to combine their efforts into
a so-called MetaCenter. As part of this process, visualization
groups from around the country are meeting in San Diego this next
weekend to discuss things like

            Image formats, long-term storage
               (what image formats do you use most?)
               (what kind of hard copy?)

            Graphical user interfaces
            3D geometry formats
           
            What do users need now and in the future?

            What role should the MetaCenter play?

            What are the important common problems across disciplines?
 
            Where will the cutting edge be?

            Multimedia?  Quicktime movies?  Journals on CD?

I would welcome any input you would like to provide and will
take it with me to the meetings. 


-------------------------------------------------------------------
  stereo pair       stereo pair        
                                          Richard E. Gillilan
    H    H             H  H               Visualization Specialist
    \    |             |  \               Cornell Theory Center
  H--C---C--H      H---C---C---H          richard@tc.cornell.edu
    /    |             |  /               (607) 254-8757
    H    H             H  H      
-------------------------------------------------------------------




From chiremv!andromeda!jeffb@uunet.UU.NET Mon Feb  8 16:06:32 1993
Date: Sat, 6 Feb 93 15:32:53 -0800
From: chiremv!andromeda!jeffb@uunet.UU.NET (Jeff Blaney)
Message-Id: <9302062332.AA16933@andromeda>
To: uunet!ccl.net!chemistry-request@uunet.UU.NET
Subject: Re:  "special" molecules

A good source for experimental octanol/water log P data is the Pomona College
Medicinal Chemistry Project.  Their database contains data for about 30,000
different structures, including both experimental and calculated log P's.
You could easily search this database for structures with large deviations
between experimental and calculated values.

Contact Dr. Al Leo at Pomona College, Chemistry Dept., Claremont, CA 91711.
(909)-621-8452.


Jeff Blaney
Chiron
jeffb@chiron.com