April 1997 - chemweb - imperial.ac.uk

Molecule Editor in Java
by Denis M. Bayada 18 Feb '99

18 Feb '99

Dear all, I have just finished writing a molecule editor in JAVA. If anyone is interested, it is available at : http://www.chem.leeds.ac.uk/ICAMS/people/denis/moledit.html You may freely download the Java source code and modify it. Any comments are indeed welcome. Thank you Denis --------------------------------------------------------------------- Denis M. Bayada e-mail: denis(a)mi.leeds.ac.uk ICAMS voice: (44) (0)113 233 65 95 School of Chemistry fax: (44) (0)113 233 65 63 University of Leeds http://www.chem.leeds.ac.uk/ICAMS/people/denis Leeds LS2 9JT ENGLAND ... but as I proceeded in my labour, it became every day more horrible and irksome to me. Sometimes I could not prevail on myself to enter my laboratory for several days, and at other times I toiled day and night in order to complete my work. It was, indeed, a filthy process in which I was engaged. Frankenstein (Mary Shelley) --------------------------------------------------------------------- ----- 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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Molecule of the Month
by Paul May 30 Apr '97

30 Apr '97

Hi, To take your mind off all the election fever, how about checking out the new Molecule of the Month, which is Vitamin B12, written by one of my colleagues at Bristol, John Maher. The page contains a huge amount of information about the molecule, its structure, reactions, Nobel prizes associated with it, functional groups - you name it, it's there :-) There is only a Chime-enhanced page available at the moment, but a normal page will be available shortly. MOTM page: http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm Vitamin B12: http://tiger.chm.bris.ac.uk/VitB12/ 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 "It's starting to hit me like a two ton, um, heavy thing" Ronald Reagan 1980 ----------------------------------------------------------------------------- chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Re: Copyright and Chemistry on the Web
by GARY＠mdli.com 29 Apr '97

29 Apr '97

Hold on, folks! The last time I encountered a copyright debate was in an ACM publications forum -- Communications, I think -- and it went on ad infinitum, ad nauseum, and settled nothing except to emphasize the fact that copyright disputes eventually benefit lawyers. One could recast "Bleak House" in this vein rather than inheritance law in England and have to change very little. Please, let's not clog the airwaves -- ok, email waves -- with this endless topic yet again. chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Copyright and Chemistry on the Web
by Rzepa, Henry 29 Apr '97

29 Apr '97

In another forum, there has been a fascinating discussion on copyright, originating from the notice posted on http://clans.cla.co.uk/www/auths.html about what one can or cannot legally do. Out of this, I posted a query of the following type; "A chemist might wish to create a display containing a rotating water molecule. The source "code" (I think its not the correct term to use) is in fact almost pure data, which cannot be copyrighted (ie the datum that the angle between the three atoms in water is 111 degrees is not copyrightable). This is converted "just-in-time" to a nice molecule by the browser, and that action is initated by the user. I think we must be agreed that the very sophisticated effect produced on the screen is entirely and without ambiguity not copyrightable by the original author. Taking it one stage further. Suppose the author decides that the oxygen atom must be displayed differently for whatever scientific reason, and writes a script for doing so. In textual terms this is equivalent to say italicising a word. Is that copyrightable? I think not. Take the next stage. The author choreographs a number of visual effects using scripts, and as a result imparts some conceptual understanding to the chemistry of water that was not there before. The IPR clearly resides with the author. But can the visual effects be copyrighted?" Edward Barrow of the CLA (Copyright Licensing Agency) posted the following reply (representing his view, rather than necessarily that of the CLA) "The screen display of a program which takes structural, chemical or crystallographic data to display representations of a molecule is a computer-generated copyright work, as is any subsequent printout. The copyright belongs first to the operator of the machine. Copyright does not subsist in the underlying factual data.The copyright is infringed by a person who copies the display but not by someone who uses the same program and the same data to produce an identical display; it is thus practically worthless but it does not alter the fact that it subsists. Copyright may subsist in the underlying data (for example a set of results derived from a crystallographic experiment). This copyright would be infringed by copying the data, but not by carrying out the same experiment with the same sample to produce identical data. The position on compilations of data is complicated and the law in the UK is at odds with the rest of the world until at least 1/1/98 by which time the EU's Database Directive is supposed to be implemented." I think this concept that it is possible for a copyright to belong first to the operator of a computer, rather than the person who collected data to enable such a display, to be a fascinating one. Actually, it in reality means that copyright in this sense has no worthwhile meaning! The other interesting point is the distinction between data, and a compilation of data (presumably the minimal amount is two data sets?). In the previous example, an author inserting 3D coordinate data into a web page does not own the copyright to the molecule display on that page, but if he/she had inserted say two molecules into that page, then this dataset of two molecules might indeed be copyrightable by them. At the risk of unleashing a deluge, any comments are welcome! 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.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Can you help? (fwd)
by Dr Alan Mills 25 Apr '97

25 Apr '97

... more appropriate for this list, I thought . .. 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 ---------- Forwarded message ---------- Date: Fri, 25 Apr 1997 11:35:37 -0400 From: md2004 <md2004(a)earthlink.net> To: Multiple recipients of list <pdb-l(a)pdb.pdb.bnl.gov> Subject: Can you help? Does anyone know where to find a molecular model of dehydoepiandrosterone, DHEA. I am using rasmol to view. If so please inform me, Mithra chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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ChemPlace: http://www.chemplace.com/
by Rzepa, Henry 24 Apr '97

24 Apr '97

The site http://www.chemplace.com/ seems a harbinger of things to come. Its at an introductory chemistry level for teaching resources. I expect we will see many more like this in the near future! 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.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Re: ACS News
by Bill Town 24 Apr '97

24 Apr '97

I am sorry that you have experienced some difficulty gaining access to ChemWeb.com. However, the problem is most likely to be due to the type of web browser that you are using. Early versions of browsers may unfortunately not be compatible with our site as they do not support the style of pages that we use. However, we do recommend the use of Netscape version 3.0 or the official version of Internet Explorer 3.0. Therefore, if you are using an early version of a browser, I would recommend that you try upgrading your browser to the latest version of Netscape or Explorer. This can be done completely free of charge from the respective web site. It is possible to connect to both the Netscape and the Internet Explorer home page from the ChemWeb.com home page (http://ChemWeb.com/) The buttons at the bottom of this page include a Netscape button and an Internet Explorer button. Click on either of these and you will connect to the respective web site where you will find full instructions on downloading the latest version of the browser that you require. I hope this is of assistance, however, if you have further problems once you have upgraded your browser, or you are already using one of the above browsers, please get back to me and I will look further into the matter. Similarly, if you have any other queries or comments, please do not hesitate to contact me again. Bill Town, Operations Director, ChemWeb, Inc. ---------- From: Vasanta Kalluri To: chemweb Subject: Re: ACS News Date: 24 April 1997 14:58 I tried to access the ACS site and couldn't through the Chemweb. Clicking on members/join did not work. I tried this on 24 april at 9:55am (United States Eastern time) -Vasanta Kalluri chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk) chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Re: ACS News
by Vasanta Kalluri 24 Apr '97

24 Apr '97

I tried to access the ACS site and couldn't through the Chemweb. Clicking on members/join did not work. I tried this on 24 april at 9:55am (United States Eastern time) -Vasanta Kalluri chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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ACS News
by Dr Wendy Warr 24 Apr '97

24 Apr '97

Links to ACS News on ChemWeb.com now work fine. Thank you someone at Chemweb Inc. who must have done a very quick fix! If anyone on this list now wants to see the news he/she should visit http://chemweb.com and click on Join or Members (depending on whether he/she is already a member or not). -- Dr Wendy A Warr Wendy Warr and Associates, 6 Berwick Court Holmes Chapel, Cheshire CW4 7HZ, England Tel/fax +44 (0)1477 533837 wendy(a)warr.com http://www.warr.com chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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RE: ACS Meeting
by Bill Town 23 Apr '97

23 Apr '97

On April 14th, Henry Rzepa wrote >I wonder if anyone on this list (which seems to be back to normal!) might >be going to the ACS meeting and might wish to post a report >which they might consider relevant to the list? The ChemWeb.com website (http://chemweb.com/) which was launched commercially at the ACS meeting, carried daily news reports on the ChemWeb.com home page last week. These reports will remain accessible from there for the next week or so. Bill Town, Operations Director, ChemWeb, Inc. chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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