Musing about (perhaps, thanks to mauveline, 'turning over'?), the possibility of a MOTM and reading to your recent comments, I thought of offering DAPC (diacetylenylphospatidyl choline - which is not as fearsome as it sounds, is "bio active" (in a surface modification sense) and has an interesting geometry) if only for the reason that I spent a good part of 1994 early '95 working on the ESCA of its coating systems and have a good story to go with some spectra.

Excellent. I would not wish MOTM to become purely a synthetic chemists province. That's exactly what we need!!

Two points:

I have "Chen 3D" pictures of the structure, but haven't yet found a conversion routine to .pdb format. Does one exist?

Chem3D Pro at least converts to PDB; that is how I created the one for Mauveine. If you are stuck, send it to me. Also a program called Babel will convert anything to anything (almost), largely but not always reliably.

ESCA spectra are currently being "worked on" by an ISO commitee (ISO/TC 201/SC3) which is about to propagate a new data transfer standard (based on the 'VAMAS' rather than JCAMP format: see:- "Surface & Interface Analysis", Vol. 21, 615 - 620 (1994) and S.I.A. Vol. 13, 63 - 122 (1988)) I would be interested to hear comments from users on JCAMP or any other favourite format for generalised spectrum transfer.

That is very interesting. Could you repost that bit to the chemime discussion forum (chemime@ic.ac.uk) Archived on http://www.ch.ic.ac.uk/hypermail/chemime/ I dont think we should discuss MIME in this forum, but clearly the two are related. Anyone who wishes to join should do so by posting to listserver@ic.ac.uk subscribe chemime your name Dr Henry Rzepa, Department of Chemistry, Imperial College, LONDON SW7 2AY; rzepa@ic.ac.uk via Eudora Pro 2.1.3; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. World-Wide Web URL: http://www.ch.ic.ac.uk/rzepa/ ----- chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.ch.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to listserver@ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa@ic.ac.uk)