Announce: Analysis of 2D NMR spectra using WWW
- From: h.rzepa
-8 at 8- ic.ac.uk (Rzepa,Henry) (Rzepa,Henry)
- Subject: Announce: Analysis of 2D NMR spectra using WWW
- Date: Mon, 1 Aug 1994 11:51:15 +0100
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 -8 at 8- 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