- chemweb - imperial.ac.uk

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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Science and Engineering Network News
by h.rzepa＠ic.ac.uk 02 Mar '96

02 Mar '96

For reasons I will not go into, I came across this current awareness publication. Its both printed, and available as http://www.senn.com/ Its not free, but they claim "site licenses" are available (senn(a)world.std.com) I wonder how many central or chemistry libraries have current subscriptions to such publications? The reason I though it might be worth evaluating is that in the next "issue" (April) they claim they will be focusing on Chemistry Resources. March is devoted to Molecular Biology. In the current issue, they also look at top quality sites, and what made them so. Certainly, we all have lessons to learn from the best sites! Finally, I might note that I spotted no advertising in the March issue. ----- 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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Converting Mac Chemdraw images to PC gif images. How?
by Paul May 01 Mar '96

01 Mar '96

Hi, At Bristol, we have the unfortunate situation of the Organic and Inorganic Depts using Macs, while we in Physical Chemistry (including me, the webmaster), use PCs and UNIX. So when I have to create web pages for staff members in org/inorg chemistry, I keep on running into the problems of (a) converting their Mac files to PC-readable ones, and (b) converting their Mac Chemdraw diagrams into gif files. The text is just about do-able, but I'm having real problems converting the Chemdraw files. The best I've come up with is to get the author to print out a good quality hard copy, and I scan it in using Windows formatting. But there must be a better way!! Does anybody know of a simple utility program, or method, that will allow me to do this without all the faffing around? ----------------------------------------------------------------------------- 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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Re: Converting Mac Chemdraw images to PC gif images. How?
by jsb2＠camsci.com 01 Mar '96

01 Mar '96

>At Bristol, we have the unfortunate situation of the Organic and >Inorganic Depts using Macs, while we in Physical Chemistry (including >me, the webmaster), use PCs and UNIX. So when I have to create web >pages for staff members in org/inorg chemistry, I keep on running into >the problems of (a) converting their Mac files to PC-readable ones, and >(b) converting their Mac Chemdraw diagrams into gif files. > >The text is just about do-able, but I'm having real problems converting >the Chemdraw files. The best I've come up with is to get the author to >print out a good quality hard copy, and I scan it in using Windows >formatting. Ick! ChemDraw files are binary-compatible (i.e. completely compatible) on all three platforms. Make sure that it has a .chm filename extension and a ChemDraw file created on the Mac should be directly readable into the Windows or UNIX versions of ChemDraw. For conversion to GIF on the Macintosh side, we generally recommend using the freeware clip2gif application. It does a really nice job. Also, recent versions of ChemDraw (3.5 or later, I think) include an AppleScript that allows you to create a "Save As GIF..." menu item. We use clip2gif for on-the-fly GIF creation at http://chemfinder.camsoft.com and we have also in the past used it for batch translation of files. A really nice little program. Supports JPEG and TIFF, too. The options for GIF creation on Windows are significantly more limited. Jonathan Brecher CambridgeSoft Corporation jsb(a)camsoft.com ----- 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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Re: chemdraw to gif
by M.Winter＠Sheffield.ac.uk 01 Mar '96

01 Mar '96

>I have no problem on the mac with chemdraw files if saved as a pict file. >This can then be converted to gif by the shareware GraphicConverter. For >the best effect I then set the background to transparent (from the colour >setting). I have converted 100's of files this way on my IUPAC nomenclature >Web pages which I will circulate details with a following message. > Even quicker: (i.e. no saving as PICT necessary) use the control panel FlashIt or the very extremely wonderful clip2gif, now at 0.72 I think. If you do save as PICT, or use the PICT files produced by rtftohtml, clip2gif will convert the lot in batch mode. It's at ftp://ftp.shef.ac.uk/pub/uni/academic/A-C/chem/www/graphics-utils/ Dr Mark J Winter (Deputy Head of Department, Director of Studies) Department of Chemistry, The University, Sheffield S3 7HF, England tel: +44 (0)114 282 4498 fax: +44 (0)114 273 8673 e-m: M.Winter(a)Sheffield.ac.uk web: http://www.shef.ac.uk/~chem/staff/mjw/mark-winter.html CU-SeeMe: mac043078.shef.ac.uk ----- 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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Re: Converting Mac Chemdraw images to PC gif images. How?
by a.k.hughes＠durham.ac.uk 01 Mar '96

01 Mar '96

>Hi, > >At Bristol, we have the unfortunate situation of the Organic and >Inorganic Depts using Macs, while we in Physical Chemistry (including >me, the webmaster), use PCs and UNIX. So when I have to create web >pages for staff members in org/inorg chemistry, I keep on running into >the problems of (a) converting their Mac files to PC-readable ones, and >(b) converting their Mac Chemdraw diagrams into gif files. > >The text is just about do-able, but I'm having real problems converting >the Chemdraw files. The best I've come up with is to get the author to >print out a good quality hard copy, and I scan it in using Windows formatting. > >But there must be a better way!! Does anybody know of a simple >utility program, or method, that will allow me to do this without all the >faffing around? > The method which I have used most successfully to convert Microsoft word files into html on a Mac, where the Word files contain figures pasted into them is as follows. Save the Word file as RTF, use RTF2HTML (shareware application) to convert the whole file into html, and at the same time spit out the figures/pictures as PICT files, and then use CLIP2GIF to convert the resulting PICT files into GIF files (as its name suggests it convert the clipboard file or any PICT file into a GIF file). This is quite neat since RTF2HTML produces html which contains <IMG SRC...... commands which expect GIF files. You could equally use CLIP2GIF to convert a Chemdraw picture one at a time into a GIF by cutting the picture from Chemdraw (hence making it the clipboard file) and then getting CLIP2GIF to do its work. Andy Hughes xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx Dr. Andrew Hughes, Tel: 0191 374 3111 Department of Chemistry, South Road, International: +44 1913743111 Durham, DH1 3LE, UK. Fax: 0191 374 3745 E-mail: a.k.hughes(a)durham.ac.uk http://www.dur.ac.uk/~dch0www/Staff/akh.html ----- 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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IUPAC recommendations on WWW
by G.P.Moss 01 Mar '96

01 Mar '96

International Union of Pure and Applied Chemistry (IUPAC) Nomenclature on World Wide Webb The first of several planned IUPAC nomenclature recommendations have been converted into a World Wide Webb document which can be accessed from your desktop. The "Glossary of class names of organic compounds and reactive intermediates based on structure. Recommendations 1995" [Pure Appl. Chem. 67, 1995, 1307-1375] can now be consulted from: http://www.qmw.ac.uk/~ugca000/iupac.html This contains over 700 class names with over 1300 cross-links and 170 illustrations. Due to the nature of the medium the material is now fully indexed and the entries are ordered into 22 categories so that related material is together. The sections are hydrocarbons, ring systems, alcohols and ethers, aldehydes and ketones, carboxylic acids, compounds with one nitrogen atom, compounds with more than one nitrogen atom, compounds containing boron, halogen, metals, phosphorus arsenic or antimony, silicon or germanium, sulfur selenium or telurium, ions and radicals, natural products and miscellaneous entries. The natural products are subdivided into antibiotics, carbohydrates, lipids, nucleic acids, terpenoids, tetrapyrroles and other natural products. Due to the limitations of the html language some characters have to be converted into text e.g. Greek letters are given as [alpha] etc. However instead of just having a note that a term used in a definition is available elsewhere in the glossary there is now a link. Click on the word and the definition itself will appear. In addition to the glossary there is a full list of nomenclature recommendations from the Commission on the Nomenclature of Organic Chemistry (3.1) and also for the Joint Commission on Biochemical Nomenclature together with those of the Nomenclature Commission of the International Union of Biochemistry and Molecular Biology. There is also a link to the IUPAC data at Cambridge on the organisation of the Union. 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.qmw.ac.uk/~ugca000/chemistry.html IUPAC data base http://www.qmw.ac.uk/~ugca000/iupac.html ----- 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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