WWW94 Chemistry Workshop

Workshop Objectives.

1. To summarise existing applications of WWW to Chemistry
2. To discuss chemical deficiencies of html, and the role of html+
3. To Introduce Chemical MIME Types
4. To discuss future directions for WWW and Chemistry in teaching and research

1. 24 WWW servers specialising in Chemistry
2. Use in teaching and research:
   • Dr Mark Winter, Sheffield University
   • Dr Jonathan Goodman, Cambridge University.
   • Dr Benjamin Whitaker, Leeds University
3. Use in Visualisation:
   • Dr David Doherty, Minnesota SuperComputer Centre
4. Use in Chemical Electronic Publishing:
   • Dr Henry Rzepa, Imperial College.
5. Use in Chemical On-line Presentations:
   • Dr Henry Rzepa, Imperial College
6. Use in On-line Chemical Information:
   • Dr Jan Labanowski, Ohio Supercomputer Centre.
7. Use in Chemical Industry.
   • Martin Hargreaves, Glaxo Group Research

1. Lack of superscripts, subscripts, greek, equations and tables.
2. No html+ Browsers!

1. Dr Henry Rzepa and Dr Peter Murray-Rust An Internet Draft: draft-rzepa-chemical-mime-type-00.txt
2. The use of Chemical MIME:
   • Dr Henry Rzepa , Imperial College.
   • Dr Benjamin Whitaker, Leeds University: Quantum Chemistry on the Web.
   • Peter FitzGerald, National Institutes of Health: Form for PDB Enquiry.
   • Martin Hargreaves, Glaxo Group Research

1. 2D and 3D Structure Mapping.
2. Chemical Indexing and Searching of Molecular Formula
3. Chemical Entry via Forms
4. Client Computing via Scripts (Wavefunctions etc)
5. Molecular Whiteboarding. Omer Casher, imperial College