August 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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Copyright in chemical material on the WWW
by peter murray rust 29 Aug '97

29 Aug '97

I hesitate to raise a very open-ended question on this list, but I'd be grateful to know if anyone knows of WWW resources (or established practices) relating to what is 'fair use' of specifically chemical information on the WWW. [I'm writing in the context of preparing material for our virtual course on Structure-Based Drug Design, so my primary orientation is educational. Typical questions are the extent to which authors can 'quote' from the WWW, and whether students can copy material for inclusion in submitted work.] Firstly, it is universally agreed that there are no definite answers to any copyright problems. The only sure answer is to get permission from the copyright owner (if they can be identified, and if they take the trouble to respond). Otherwise decisions can only be made in courts in a particularly country. I have read through some of the many links from: http://fairuse.stanford.edu/ and http://www.utsystem.edu/OGC/IntellectualProprty/cprtindx.htm which are good places to start from. Abstracting (very generally) from this, the factors weighing in favour of 'fair use' i.e. use without consulting the copyright owner are: - educational, non-commercial use - restricted distribution (e.g. for a particular course of students) - it is a small part of the resource from which the material was copied - the material is factual - there is no essential loss of income to the author. - attribution of source For text-based material it is often possible for authors to summarise parts of documents, but chemistry is a partially graphic subject where in some cases graphics is the only way of transmitting chemical information. An obvious example is the use of a chemical structure diagram, reaction schemes, mechanisms of enzyme action, etc. To avoid unstructured discussion on this list, I'd be particularly interested in existing documents about chemical or biological copyright on the WWW. One problem with most of the (freely published) documents about copyright is that they are also copyrighted without any indication of permitted use :-( It would also be very useful if the current and future publishers of chemical material on the WWW could give an indication of what they regard as 'fair use' of their material. This could include some or all of: - copying a small percentage - use for non-commercial purposes - any use so long as authorship is retained and copyright quoted in its entirety, etc. - mirroring This may (possibly) reduce the risk that the material is abused unknowingly - it will probably not reduce deliberate misappropriation. P. Peter Murray-Rust (PeterMR, ) Director, Virtual School of Molecular Sciences Pharmaceutical Sciences, Nottingham University, NG7 2RD, UK; Tel 44-115-9515100 Fax 5110 http://www.nottingham.ac.uk/vsms/; OMF: http://www.ch.ic.ac.uk/omf/ 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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Archiving the entire chemical Web
by Rzepa, Henry 26 Aug '97

26 Aug '97

I enclose a portion of a message received from Sweden. I wonder who pays for this to happen? This is however an interesting contrast with say Chemical Abstracts, who abstract only a very tiny proportion of the chemical Web, by the expedient of printing the document first, and abstracting that rather than the "e-version". The resultant quality is no doubt very much better than the Swedes would achieve. Still, it raises an issue that if an entire country (and 5.6M URLS) can be archived, no doubt the whole of chemistry (which is perhaps 25% the size of this) could also be done. The big difference is that one cannot tell it is chemistry simply by inspecting the URL! I have thought in the past that any site that considers itself chemical in nature might wish to identify this (ie by an expedient similar to the robots.txt file which controls whether you allow robots to visit you, ie chembot.txt). I wonder if on the whole, readers of this list feel that someone somewhere should be thinking about how to do it, or whether the Web, like phone calls, may just not be worth "snapshoting" in this way. Arguably, already so much of the chemical Web lurks behind passwords, or is generated just-in-time from databases, that an archive would be so incomplete as to be not worth doing. Anyone with strong views on this? *********************** The National Library of Sweden (KB) archives the whole "Swedish web", within *.se (today about 5.6M URL's), because we hope KB will not go broke, for a few more centuries at least. We are the only National Library in the world to do so. We hope for international collaboration though. Will British Library join us? Finland will. Norway, Denmark and Iceland probably too. Some links do cross over borders!(-; Best regards, Frans Frans Lettenstrom, Ph.D, Executive Officer, Information Technology BIBSAM (Department for National Coordination and Development) The Royal Library, National Library of Sweden *********************** 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/ 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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CAS abstracting and the web
by Becky Allen 20 Aug '97

20 Aug '97

I wrote a story on Chemistry Webmasters 3 for the Alchemist on chemweb.com, and asked CAS for an interview about their policy on abstracting web documents. The reply came too late for the Alchemist piece, but here it is if anyone is interested. Becky Allen CA Editor, David Weisgerber says: "CAS Coverage of Chemical Information on the Internet Chemical Abstracts Service (CAS) abstract and index coverage of chemical science resources on the Internet is currently limited to electronic-only journals and online web-based conferences. Internet documents are selected for coverage on the basis of criteria that are similar to those applied to the corresponding printed journals and conference proceedings. These criteria are: 1. The documents report new information of chemical or chemical engineering interest. 2. They present information in a form similar to that of a scientific paper. This means that they present novel findings with some discussion of the experimental details, research, or theoretical considerations that support the findings. 3. They identify authorship, either personal or organizational. 4. They are publicly available (not necessarily free, but not restricted in some manner to a particular audience). 5. They are expected to have some relative permanence or continued accessibility through a citable electronic address. 6. They are original publications (i.e., they have not been published previously in another form or medium) and their content is expected to remain unchanged. CAS coverage currently includes articles published in electronic-only journals and presented during online web-based conferences. It does not include preprints, news releases, websites, abstracts, or messages placed on electronic bulletin boards or listservs. In the cases of established print journals that are also made available in electronic full-text forms, the printed journals remain the primary sources for CAS coverage." 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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Project Manager needed
by waw22＠xtrn.org 14 Aug '97

14 Aug '97

I am looking for a project manager to oversee the development of a significant IT system for about 1 year starting fairly soon. The job is not permanent and candidates will have to be willing to live at a certain location in the UK (or Monday-Friday, perhaps) for up to a year. In other words, teleworkers etc,. need not apply. Suitable candidates will have to show evidence of having successfully managed previous similar projects. ORACLE experience would be an advantage, as would experience of scientific computing, but people skills and the ability to keep a project on target are much more important. If would be interested to hear from either potential candidates or people with suggestions. Please do not reply to the list. Replying to the list will not only cause embarrassment but is also likely to disqualify you! Do *not* hit your "Re Mail" button or whatever. Start over and compose a message to wendy(a)warr.com or phone me at the number below. 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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Apology for earlier message...
by Dr. Robin Boyett 11 Aug '97

11 Aug '97

Dear All, Please accept my apology for the unnecessary posting on this list of a private email to Henry. The problem arose because of an error I made in the "reply to" details for the new email account I'm running: this field contained details of my company postal address rather than my email address. As Henry attempted to reply to my message, the ic.ac.uk mailserver took the word "ChemWeb" in my postal address to equate with the local discussion list :-0 Rob Boyett. 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: RSC membership
by Rzepa, Henry 11 Aug '97

11 Aug '97

>Hi Henry, > >I may have contacted you about this in the past, but I wonder if you >would be kind enough to act as a referee for me in my application for >membership of the RSC. My other referees will be Wendy Warr and Dewi >Lewis, a zeolites and molecular modelling guy now at Cambridge. > >I've not applied to the RSC before, and although I've been a practising >chemist since 1986, I may need to undertake structured assessment to >achieve chartered status. I can foresee the need to go in as a GRSC >because my first degree was in Chemistry and Geology. We'll see. > >Please let me know if you would like to see more details about my career >etc, or if it will not be possible for you to help me in this matter. No problem. I will go on vacation from this Wednesday for 1 week, so it may have to await my return. 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/ 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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Molecules logo
by Shu-Kun Lin 08 Aug '97

08 Aug '97

Dear colleagues: Our electronic web-journal MOLECULES (ISSN 1420-3049, CODEN: MOLEFW, Vol. 1, 1996; Vol. 2, 1997) is published by MDPI in Switzerland. I do not have a logo for it yet. Please offer some molecular graphic design as its logo. The molecule(s) might be coffein or alcohol. I will be very grateful for your contribution! Shu-Kun --------------------------------------------------------- Dr. Shu-Kun Lin Molecular Diversity Preservation International (MDPI) Saengergasse 25, CH-4054 Basel, Switzerland MDPI: www.mdpi.org/ Molecules: www.mdpi.org/molecules/ ECSOC-1: www.mdpi.org/ecsoc-1.htm e-mails: Lin(a)ubaclu.unibas.ch Lin(a)mdpi.org Tel. +41 79 322 3379, Fax +41 61 302 8918 -------------------------------------------------------- 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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e-mail management
by Greg Ritchie 08 Aug '97

08 Aug '97

Anyone flooded with incoming e-mail and need someone with a chem background to respond to it? - Greg Ritchie -- Greg Ritchie,M.Sc./exp:toxicologist,patent examiner/e-mail: ritchieg(a)erols.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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Calling for papers: ECSOC-1
by Shu-Kun Lin 06 Aug '97

06 Aug '97

Dear colleagues: The First International Electronic Conference on Synthetic Organic Chemistry (ECSOC-1) will be held on the internet during September 1-30, 1997 at http://www.unibas.ch/mdpi/ecsoc-1/ The deadline for posters is 15 August 1997. Shu-Kun Lin ecsoc-1(a)mdpi.org --------------------------------------------------------- Dr. Shu-Kun Lin Molecular Diversity Preservation International (MDPI) Saengergasse 25, CH-4054 Basel, Switzerland MDPI: www.mdpi.org/ Molecules: www.mdpi.org/molecules/ ECSOC-1: www.mdpi.org/ecsoc-1.htm e-mails: Lin(a)ubaclu.unibas.ch Lin(a)mdpi.org Tel. +41 79 322 3379, Fax +41 61 302 8918 -------------------------------------------------------- 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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