March 1996 - chemweb - imperial.ac.uk

MOTM
by Paul May 29 Mar '96

29 Mar '96

Hi, It's almost April, so there's another MOTM. This time it's delta-THC (a cannabinoid), supplied by Lee Banting from the University of Portsmouth. The direct URL is: http://www.sci.port.ac.uk/~chemwww/MOTM/cann.html and it's been added to the growing list of previous MOTMs at: http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm I've got three more in the pipeline (maybe a fourth as well, Karl?) but I'm still on the look out for more. Any volunteers...? ----------------------------------------------------------------------------- Dr Paul May, School of Chemistry, University of Bristol, UK tel: +44 (0)117 9287667, fax: +44 (0)117 9251295 email: paul.may(a)bris.ac.uk WWW: http://www.bris.ac.uk/Depts/Chemistry/staff/pwm.htm "Another squashed hedgehog in the gutter of the information superhighway" ----------------------------------------------------------------------------- ----- chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.ch.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to listserver(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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The Alta Vista link:site command
by h.rzepa＠ic.ac.uk 28 Mar '96

28 Mar '96

A fascinating option in the Alta vista search engine; http://www.altavista.digital.com/ has been pointed out to me. Go to advanced options, and in the command line, enter say link:www.altavista.digital.com This will tell you how many documents Alta Vista knows about that have a hyperlink to www.altavista.digital.com It can be a humbling/enlightening experience to find out if any one has bothered to link to what you consider the best home page in the universe! Might be worth citing in your next grant application if the number is > 10. There also is an interesting normalisation problem. What number is worth getting excited about? Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; rzepa(a)ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. 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(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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The ECTOC Conference CD
by h.rzepa＠ic.ac.uk 28 Mar '96

28 Mar '96

The ECTOC Conference CD-ROM is now available for immediate delivery from the RSC. Contact http://chemistry.rsc.org/rsc/ectoc1.htm for ordering details. Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; rzepa(a)ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. 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(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Chemscape Chime from MDLI - Version 2
by Dr Alan Mills 21 Mar '96

21 Mar '96

Hi, Subscribers to this list may wish to know that an updated version of Chime from MDLI has just been mounted on the US server and the UK mirror that we are running. The URLS are http://www.mdli.com/mdlhome.html and http://www.venus.co.uk/mdli/chemscape/chime/chime.html Regards, Alan Mills at Venus Internet Ltd, 24 Denmark Street, London WC2H 8NJ, UK email:alan@venus.co.uk web:http://www.venus.co.uk Tel: +44 (0)171 240 5858 Fax: +44 (0)171 240 5859 Providing Web and Internet services and solutions ----- chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.ch.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to listserver(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Internet accessed databases: Crossfire and SciFinder
by h.rzepa＠ic.ac.uk 20 Mar '96

20 Mar '96

The academics amongst you may be familiar with the 6 month trial of Beilstein Crossfire, starting at Daresbury. This involves getting the Crossfire software and an account from Daresbury, and gives access to 5-6 million compounds. Instructions are on http://www.dl.ac.uk/CDS/Beilstein/quick_guide.html This trial should spark off perhaps a broader discussion on how the chemistry community should lobby/organise/fund access to databases. Curiously, there is no single mechanism for soliciting such discussion. Thus with some universities, it goes through the librarians, with others the academics. It seems worthwhile posting it here. Whilst Beilstein is of interest in providing access to molecular properties, another product that has attracted attention is SciFinder from CAS. This in effect goes down the route of extreme user friendliness. My understanding is that CHEST have got involved in discussions with both Beilstein and CAS about such products, although the community at large has yet to get involved. Perhaps people might wish to post to this forum experiences of either/comments on areas of applicability/Web interfaces/ etc In particular, it would be nice to use this 6 month trial of Crossfire to help CHEST and others know how the chemistry community feels about this area, and even perhaps help define some priorities. Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; rzepa(a)ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. 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(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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WWW site for ACS symposium
by James A. Dix 18 Mar '96

18 Mar '96

The ACS Division of Chemical Education is sponsoring a symposium, "Teaching Chemistry on the World Wide Web," March 24-25, 1996, during the Spring national meeting in New Orleans. As part of this symposium, we have created a World Wide Web site that will contain material related to the symposium. The URL is http://chemed.chem.binghamton.edu:2001 The site will be updated periodically through the symposium. Please direct comments about the site to the address below. -- James A. Dix dix(a)chemiris.chem.binghamton.edu Associate Professor dix(a)binghamton.edu Chemistry Department, Box 6016 voice: (607) 777-2480 State University of New York fax: (607) 777-4478 Binghamton, NY 13902-6016 USA on sabbatical leave 1995-1996: Los Alamos National Laboratory dix(a)t10.lanl.gov Theoretical Biology and Biophysics voice: (505) 665-3853 T10, MS 710, TA3-SM483, Rm 103A (505) 667-7510 Los Alamos, NM 87545 USA fax: (505) 665-3493 ----- chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.ch.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to listserver(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Chemistry teaching resources list
by Paul May 12 Mar '96

12 Mar '96

Hi, For your information, there's a superb list of Chemistry-based resources, from teaching aids, to software, to mailing lists, etc, at: http://www.anachem.umu.se/eks/pointers.htm in sweden. It's worth checking out. Regards, ----------------------------------------------------------------------------- Dr Paul May, School of Chemistry, University of Bristol, UK tel: +44 (0)117 9287667, fax: +44 (0)117 9251295 email: paul.may(a)bris.ac.uk WWW: http://www.bris.ac.uk/Depts/Chemistry/staff/pwm.htm "Another squashed hedgehog in the gutter of the information superhighway" ----------------------------------------------------------------------------- ----- chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.ch.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to listserver(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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http://www.hensa.ac.uk/proxy.config
by h.rzepa＠ic.ac.uk 07 Mar '96

07 Mar '96

We all know how difficult it can be to get abroad using a Web client. One solution to this has been to nominate a "proxy". If a document is requested, the proxy is checked first to see if it has a copy of the request. This has been around some time, but many people tried it, and then switched it off. The reason is that ALL your document requests were being funnelled into a single machine, and often the poor thing could not cope. If the proxy failed to respond, your browsing came to a rapid end. Better slow access to the States, than no access at all! With Netscape 2.0, a new system of "round robins" was introduced. Firstly, you requested a proxy config file (from e.g. http://www.hensa.ac.uk/proxy.config) This gave Netscape information on a whole host of proxies to try. When you request a document you a) spread the proxy load around more than one machine and b) if a proxy does not respond, it trys another, and eventually the original source of the document. What if the http://www.hensa.ac.uk/proxy.config machine itself does not respond? Well, it will have saved a copy of this from an assumed previously successful session, and use that. The new system "degrades" much more gracefully. I would strongly recommend that you go to Options/Network/Proxies in Netscape 2, select automatic, and enter http://www.hensa.ac.uk/proxy.config It is not a complete solution (all so called cgi-bin requests will still have to go to the orignal site) but it does seem to be a big improvement! Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; rzepa(a)ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. 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(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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http://www.ch.ic.ac.uk/hyperactive/1prc.html
by h.rzepa＠ic.ac.uk 04 Mar '96

04 Mar '96

http://www.ch.ic.ac.uk/hyperactive/1prc.html contains the text and the molecule in two separate windows, so that the molecule never scrolls off the top of the screen. Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; rzepa(a)ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. 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(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Marking up molecules with Chime and CSML
by h.rzepa＠ic.ac.uk 04 Mar '96

04 Mar '96

More on the use of Chime; O. Casher, G. Chandramohan, M. Hargreaves, C. Leach, P. Murray-Rust, R. Sayle, H. S. Rzepa and B. J. Whitaker, "Hyperactive Molecules and the World-Wide-Web Information System", J. Chem. Soc., Perkin Trans 2, 1995, 7. describe a simple way of sending rendering instructions to e.g. a RasMol browser, called CSML (chemical structure markup language). It appears this is fully implemented in the Chime plug in. For example, a molecule in-lined as; <embed src="http://www.ch.ic.ac.uk/hyperactive/1prc.pdb" align=abscenter width=250 height=250 spiny=360 startspin=true display3D=ribbons PLUGINSPAGE="http://www.ch.ic.ac.uk/cgi-bin/plugin.cgi" name="1prc"></embed> can be marked up using <embed src="1prc_1.csml" width=12 height=12 target="1prc" button=push> where the csml looks like e.g. all grey backbone on 607 red spacefill on 608 grey spacefill on his217 blue spacefill on atomno=6519 blue spacefill on HIS:217 If you go to our "molecule of the month for March" on http://www.ch.ic.ac.uk/motm/1prc.html you can see all this in action. It appears stable and works well on Windows-95. For a system as big as this, one really needs to use non-scrolling frames. A version implementing this is on its way!! Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; rzepa(a)ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. 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(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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