What's New. Last updated 22 January, 1996.
This project was developed jointly by Henry Rzepa at Imperial College Chemistry Department and Benjamin Whitaker at the School of Chemistry, Leeds University, UK.
A paper has been published.
Network Bandwidth
There are deliberately a large number of in-lined images on this page, which might take some time to download, especially if the transfer is across the Atlantic. You are advised to switch off the auto-downloading of such images if your response time is likely to be slow. The images also come from a variety of http servers, not all of which may be up at any one time. An alternative is to specify a proxy service within your browser to a local CERN caching server. The Netscape browser currently supports this.
To take advantage of all the features shown here, you will have to configure your local system and to acquire viewing packages if you do not already have them. Do not proceed futher until you have read this section at least once.
Introduction
Molecular coordinates and other types of chemical information are stored in a large number of formats, and originate from sources such as several crystallographic databases, nmr and other spectroscopic techniques, quantum chemistry calculations (see here for the first video animations for a chemical paper mounted on a gopher server), molecular mechanics or dynamics runs. In our chemical MIME (Multipurpose Internet Mail Extension) proposal, we have identified a number of well defined formats and proposed their use as chemical MIME types. In this page, you can see examples of the use of chemical MIME to produce "Hyperactive" Molecules, i.e. manipulatable objects under your control. In a further extension, we are developing the concept of "chemical structure markup language", which enables the molecules to be remotely "annotated" on-the-fly.
If anyone has other examples of chemical MIME in action, do please send the URL to Henry Rzepa by clicking here or to Ben Whitaker, benw@chem.leeds.ac.uk and we will consider including it on this page.
Let the Show Commence.
All the examples below contain "live" molecular coordinates underneath the "thumbnail" sketches of the molecules or other diagrams. If you have configured your molecular visualiser appropriately, clicking on the diagrams below should produce "hyperactive" molecules for you to play with. To find out what format the coordinates are stored in, point the WWW browser cursor at the thumbnail image (or the arrow above the generic icon if the image is unexpanded) and note the filename extension (ie pdb, xyz, mop, etc). This is how it might appear on your computer screen after you click on the images shown below;
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