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Date: Mon, 1 Aug 1994 11:51:15 +0100
To: CHEMISTRY@ccl.net
From: h.rzepa@ic.ac.uk (Rzepa,Henry) (Rzepa,Henry)
Subject: Announce: Analysis of 2D NMR spectra using WWW


Announcing the application of  Hyperactive Molecules to
the analysis of two dimensional Nuclear Magnetic Resonance
spectra in chemistry and molecular biology, using the mechanism of the
World-Wide-Web.
By connecting to
http://www.ch.ic.ac.uk/chemical_mime.html   or
http://chem.leeds.ac.uk/Project/MIME.html

you can download part of the 2D NOESY spectra of proteins, annoted such that
 the corresponding nuclei responsible for any highlighted spectral peak can be
color coded "on-the-fly" in a RasMol display.

Thus a cross-peak in a 2D spectrum which has been assigned to an inter-chain
contact can be almost instantly visualised via highlighted residues in the
RasMol
display.  You will need to download a script (sendras) and have to have Tcl/Tk
and RasMol installed on your system, along with two new mailcap entries. The
sendras script is not yet fully "intelligent", and so may change over the
next few
days.


Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY;
rzepa@ic.ac.uk via Eudora 2.02, Tel  (44) 171 594 5774 or 594 5809. Fax:
(44) 171 594 5804
World-Wide-Web URL: http://www.ch.ic.ac.uk/rzepa.html