Following on from the Chemint98 conference,
the 13th CIC (Chemical Information with Computers) Workshop
was held in Germany. The "Internet" theme
was fairly strong with many interesting presentations.
I note below some of the URLs associated with the
talks.
1) Wolf-Dietrich Ihlenfeldt showed the new Web-based
interface to the NCI database. With some 250,000 entries,
it constitutes the largest freely accessible database
of compounds available.
http://www2.ccc.uni-rerlangen.de/ncidb or
http://cactvs.cit.nih.gov/ncidb/
2) Another theme is the emergence of smaller specialised
databases, which the Internet has made viable to mount.
An excellent example is the glycostructures
database. Amazingly, some 49,000 such compounds
have been characterised;
http://www.dkfz-heidelberg.de/spec/
3) Some interesting work in developing "progressive"
3D image viewing comes from Erlangen. We all have
seen progressive GIF or JPEG images (where a low res
picture comes first). Now see it n 3D using VRML
or Java3D
http://www9.informatik.uni-erlangen.de/eng/research/prolet/
4) Another storng theme was the emergence of a new generation of
tools to assist authors to contribute active informatrion to
electronic journals. Thus in conjunction with the scientific
publisher Wiley and Chemical Concepts, LabControl
have made available a freely downloadable analytical data
viewer and processor. Viewpoint is a JCAMP
viewer which allows analytical data to be viewed and
saved. TransSpec NT is a simple tool
for transferring primary data to a publisher site
using a factual database (SpecInfo) as an intermediate
container;
http://www.labcontrol.com/
This "synergy" between information software developer
and publisher was reinforced by the presentation by MDL
of Mentor, a "bundle" of tools to allow users
to create local databases associated with electronic journal articles,
with a veiw to fullscale integratation of database handling
techniques with the electronic article.
>From these last two presentations, we were left in no doubt
that the tight intergratoin of the e-journal with the
database was very much the way the commercial publishers
view the future of electronic journals. If I
can add a personal comment here; it is most welcome to
see publishers thinging how the e-journal can be "enhanced"
beyond simply delivering electronic versions of
paper. Of course, one must remember that al these extra
features are likely to cost. I can see the era of "light" and "pro"
versions of e-journals just around the corner. The light version perhaps for students (and impoverished academics),
the pro versoin for industry.
Finally, I note that chemistry "portals" continue to
be developed. A German portal
http://www.chemie.de/ is an excellent and probably definitive
collection of German sites. It also has an International
section, via collaboration with Liverpool University
(aks the ChemDex UK Site at Sheffield).
There are other presentations, but I have to leave early,
so apologies to not quoting those speakers!
Henry Rzepa (Bad Duerkheim, Weinstrasse, Germany)
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You might like to look at Jeremy Cockcroft's page at Berbeck College
London where they give Crystallography courses over the internet.
http://gordon.cryst.bbk.ac.uk/www/msc-mcc/mcc_homepage.html
--
MSc in Materials & Chemical Crystallography
http://gordon.cryst.bbk.ac.uk/www/msc-mcc/mcc_homepage.html
Advanced Certificate in Powder Diffraction on the Web
http://pd.cryst.bbk.ac.uk/www/pd/welcome.htm
Author of Symmetry on the WWW course (limited to fee-paying students)
http://gordon.cryst.bbk.ac.uk/www/cockcroft/course/p1.htm
Lachlan.
At 13:01 13/11/98 +0100, you wrote:
>Can any of you give me your ideas on the use of any of the available
>information (or resources: e-mail, FTP, web, chats...) from Internet for
>Chemistry teaching (Science, in general)?
>-How to teach Chemistry with Internet for a class of 10, each with a
>computer
>-Self-learning Chemistry from Internet distance learning
>
>
>
>chemweb: A list for Chemical Applications of the Internet.
>To post to list: mailto:chemweb@ic.ac.uk
>Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/
>To (un)subscribe, mailto:majordomo@ic.ac.uk the following message;
>(un)subscribe chemweb
>List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)
>
>
Lachlan M. D. Cranswick
Collaborative Computational Project No 14 (CCP14)
for Single Crystal and Powder Diffraction
Daresbury Laboratory, Warrington, WA4 4AD U.K
Tel: +44 (0)1925-603703 Fax: +44 (0)1925-603124 Room C14
E-mail: l.cranswick(a)dl.ac.uk
CCP14 Webpage (Under heavy construction):
http://www.ccp14.ac.uk
chemweb: A list for Chemical Applications of the Internet.
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Can any of you give me your ideas on the use of any of the available
information (or resources: e-mail, FTP, web, chats...) from Internet for
Chemistry teaching (Science, in general)?
-How to teach Chemistry with Internet for a class of 10, each with a
computer
-Self-learning Chemistry from Internet distance learning
chemweb: A list for Chemical Applications of the Internet.
To post to list: mailto:chemweb@ic.ac.uk
Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/
To (un)subscribe, mailto:majordomo@ic.ac.uk the following message;
(un)subscribe chemweb
List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)
The following documents have recently been added to my Nomenclature Database
Medicinal Chemistry
~~~~~~~~~~~~~~~~~~~
IUPAC Glossary of Terms in Medicinal Chemistry (Recommendations 1998)
(Pure Appl. Chem., 1998, 70, 1129-1143) which includes nearly 120 terms.
The URL is:
http://www.chem.qmw.ac.uk/iupac/medchem/
____________________
Cyclitols
~~~~~~~~~
IUPAC-IUB Nomenclature of cyclitols (1973), Biochem. J., 1976, 153, 23-31;
Eur. J. Biochem., 1975, 57, 1-7; Pure Appl. Chem., 1974, 37, 283-297;
Biochemical Nomenclature and Related Documents, 2nd edition, Portland Press,
1992, pages 149-155. The URL is:
http://www.chem.qmw.ac.uk/iupac/cyclitol/
____________________
Tocopherols
~~~~~~~~~~~
IUPAC-IUB Nomenclature of tocopherols and related compounds.
Recommendations 1981, Arch. Biochem. Biophys., 1982, 218, 347-348;
Eur. J. Biochem., 1982, 123, 473-475; Mol. Cell. Biochem., 1982, 49,
183-185; Pure Appl. Chem., 1982, 54, 1507-1510; Biochemical Nomenclature
and Related Documents, 2nd edition, Portland Press, 1992, pages 239-241.
This document is concerned with Vitamin E active compounds. The URL is:
http://www.chem.qmw.ac.uk/iupac/misc/toc.html
____________________
Other Biochemical Nomenclature
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
A number of much more biochemical documents have also been added. The full
details of where they were published will be found with the document.
IUB Nomenclature of Multiple Forms of Enzymes. Recommendations 1976
http://www.chem.qmw.ac.uk/iubmb/misc/isoen.html
IUB Numbering of atoms in myo-inositol. Recommendations 1988
http://www.chem.qmw.ac.uk/iupac/cyclitol/myo.html
IUPAC-IUBMB Recommendations for nomenclature and tables in biochemical
thermodynamics. Recommendations 1994
http://www.chem.qmw.ac.uk/iubmb/thermod/
IUPAC-IUBMB Symbolism and terminology in enzyme kinetics. Recommendations
1981.
http://www.chem.qmw.ac.uk/iubmb/kinetics/
The Nomenclature Committee of IUBMB propose to make changes to 'Enzyme
Nomenclature, Recommendations 1992' by listing newly discovered enzymes
and correcting some entries. It invites public comments on these proposals,
which may be viewed at
http://www.chem.qmw.ac.uk/iubmb/enzyme/
Such comments should be made by 31st December 1998 to Professor Keith
Tipton (ktipton(a)tcd.ie)
If you want to be informed when new documents are added to this database
e-mail g.p.moss(a)qmw.ac.uk
Gerry Moss
_________________________________________________________________________
Dr GP Moss Telephone: +44 171 775 3262
Department of Chemistry
Queen Mary & Westfield College Facsimile: +44 181 981 8745
Mile End Road
London E1 4NS, United Kingdom E-mail: g.p.moss(a)qmw.ac.uk
World Wide Web server: http://www.chem.qmw.ac.uk/
IUPAC chemical nomenclature data base: http://www.chem.qmw.ac.uk/iupac/
IUBMB biochemical nomenclature data base: http://www.chem.qmw.ac.uk/iubmb/
chemweb: A list for Chemical Applications of the Internet.
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With the final release of Chime 2 for Windows and Mac users, I have noted
one syndrome for Mac users (I have not tested under Windows) that might
cause unexpected behaviour using Netscape.
The manifestation is that Netscape appears not to recognise PDB files
read from a LOCAL disk as having a corresponding plug-in with
which to view them (it should of course be Chime).
This is because Chime now supports three different extensions for
PDB files (pdb, emb, embl) rather than just one previously. These
extensions are not automatically written into the Netscape preferences file.
To force them to enter, one should manually delete the chemical/x-pdb
file from the Prefs/Applications section, quit Netscape (to force a new Netscape prefs to be written)
and then restart Netscape and quit once more. Now, the prefs file
will correctly include the new extensions, and now the browser
will recognise PDB files from local hard disk.
Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY;
mailto:rzepa@ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804.
URL: http://www.ch.ic.ac.uk/rzepa/
If my digital email signature is invalid, download a new root at
http://www.belsign.be/en/services/receive/install-ca.html
chemweb: A list for Chemical Applications of the Internet.
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I notice on the MDL site (http://www.mdli.com) that the final versions of Chime
2.0 for PC and Mac have been released.
The Mac version does not yet support the JCAMP spectral viewing that the
PC version does. I remind people that
http://www.ch.ic.ac.uk/java/applets/jspec/spectra/
can display both JCAMP and SPC format spectra on a Mac,
although the HTML code to invoke this is different from that needed for
the Chime plugin. Its not the only Java applet around for spectral
viewing.
There is a way of "cascading" the commands in HTML 4, and if
I have the time to test thoroughly, I will post those shortly. Has
anyone tried the <object> cascade in HTML 4?
Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY;
mailto:rzepa@ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804.
URL: http://www.ch.ic.ac.uk/rzepa/
If my digital email signature is invalid, download a new root at
http://www.belsign.be/en/services/receive/install-ca.html
chemweb: A list for Chemical Applications of the Internet.
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