June 1998 - 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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ECHET98
by Rzepa, Henry 29 Jun '98

29 Jun '98

Eclectronic Conference on Heterocyclic Chemistry <<<<<<<<<<<<<<<<<>>>>>>>>>>>>>>>>>> Please note that the 1998 conference starts today. It is located at http://www.ch.ic.ac.uk/ectoc/echet98/ with a US mirror at http://holly.chem.niu.edu/echet98/ We have an excellent selection of articles and posters covering all areas of heterocyclic chemistry. Access is free. If you wish to comment on any article or poster, please mailto:echet98@ic.ac.uk (you have to subscribe first by mailto:majordomo@ic.ac.uk the following single line subscribe echet98 ). In addition, you can search for molecules using http://www.ch.ic.ac.uk/ectoc/echet98/mol_search.html and follow "molecular similarity" themes, keywords, authors etc etc. 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. 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)

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ChemSymphony Beans, Beans, Beans
by Adam Hodgkin 24 Jun '98

24 Jun '98

Thanks for earlier suggestions form the ChemWeb community, especially the news that these Bean-made applets are Mac-compatible. ChemSymphony has a new site which will be found at: http://www.chemsymphony.com/ The 'newest' element of the site is under the 'extranet' button where we have a demonstration of co-operation with the ChemDraw plug-in from CambridgeSoft: in addition to the simple MOPAC and SMILES demos mentioned in the last posting. There will be more new stuff on the site soon, so please enjoy the demonstrations, come back for more and start building high-impact intranets for your colleagues! Adam --- --- Adam Hodgkin | e-mail: adam(a)cherwell.com Chairman | Phone: +44 (0)1865 784810 Cherwell Scientific Publishing | Fax: +44 (0)1865 784801 Oxford OX4 4GA, UK | URL: http://www.cherwell.com --- --- 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)

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****Do yourself a lifelong favor****
by Mbach＠adrp.com 23 Jun '98

23 Jun '98

Please read what I have to say. This is a great LIFELONG package. I am going to offer you something that I think is an incredible offer. I was informed about the available offer and instantly went forth and got the package. Well worth it. What it is: Have you ever forgot about an important date, anniversary, or any other event? There is a great package from a company called Nation Lifetime Reminder Service, or NLRS. They are offering a service which will mail you a postcard (with discounted gift idea's on the postcard) one week before your date. You can call and add unlimited dates for the rest of your life! YOU WILL NEVER HAVE TO PAY FOR ANYTHING ELSE AGAIN! ---------------- There is a one time fee of $39.95 for this LIFETIME service! ---------------- I have been very pleased with this package, and I believe you will too. Give it a try. There is a 100% money back guarantee*. Simply send $39.95 to: (Check or Money Order Preferred) Matt Bachand <----- Pay to NLRS PO BOX 551 Shrewsbury, MA 01545 That cost will cover shipping back to you. Make sure your mailing address is enclosed. Allow standard mail delays, and an addition week for checks to clear. E-Mail Address and Phone Number are requested as well. The enclosed form may be printed and used for everyone's convenience. * 100% of your cost will be reimbursed if package is returned in good condition within 30 days. Full Name:__________________________________________________________________ Mailing Address:______________________________________________________________ City,State / Zip:______________________________________________________________ E-Mail Address:______________________________________________________________ # of Reminder Kit's Requested:__________ -Be sure to enclose 39.95 Per Kit. ___________________________________________________________ This Message was Composed using Extractor Pro '98 Bulk E- Mail Software. If you wish to be removed from this advertiser's future mailings, please reply with the subject "Remove" and this software will automatically block you from their future mailings. 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)

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Re: Useful web site
by thomas＠chem.uni-potsdam.de 23 Jun '98

23 Jun '98

-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Hallo, I have any othe tips about this: the first is for all english speaking people: http://www.developer.com and for all german speaking peoples http://www.netzwelt.com/selfhtml/ SelfHTML von Stefan Müntz and http://www.chem.uni-potsdam.de/~thomas/inet_kurs/ Der Internetkurs für Chemiker ( in the last phase of construction - 80% completed) sincerly ************************************************************************ Dr. St. Thomas Universität Potsdam http://www.chem.uni-potsdam.de/~thomas ************************************************************************ * Lächele und sei froh, denn es könnte viel schlimmer kommen! Ich lächelte und war froh, und siehe da, es kam schlimmer! - -------------- Nach Paragraph 28 Abs. 3 Bundesdatenschutzgesetz widerspreche ich der Nutzung oder Übermittlung meiner Daten für Werbezwecke oder für die Markt- und Meinungsforschung. -----BEGIN PGP SIGNATURE----- Version: PGP 5.5.5 iQA/AwUBNY9rgXwwihWzThGwEQIPcACfayquI3mYadbye5NODW6DEe5blNYAn3Bv L0RwMYF7YGqo76U2VUkjj2Mq =uTLW -----END PGP SIGNATURE-----

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Useful web site
by Paul May 23 Jun '98

23 Jun '98

Hi, Some of you may already know of this site, but I thought I share it with the rest of you. It's a site called Webmonkey and is part of the Wired magazine web site. Over the past few months it has put up a number of extremely useful teach-yourself tutorials on some of the newer and more complex aspects of web page design, written for the novice user, such as: Dynamic HTML - what it is, how to do it. Stylesheets - a beginners guide Introduction to Java Introduction to Javascript Introduction to Perl Server-side Includes CGI scripts - how to write them How to put audio & graphics into web pages plus a full HTML reference page. And all this info is free, and is invaluable as a webmaster if you want to go beyond simple HTML. Find it at: <http://www.hotwired.com/webmonkey/> Regards, ------------------------------------------------------------------------- Dr Paul May, School of Chemistry, University of Bristol, UK tel: +44 (0)117 928-9000 x4276, fax: +44 (0)117 925-1295 <mailto:paul.may@bris.ac.uk> <http://www.bris.ac.uk/Depts/Chemistry/staff/pwm.htm> ------------------------------------------------------------------------- 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)

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Re: EPSRC final reports on the web -Reply
by slre＠LGC.CO.UK 22 Jun '98

22 Jun '98

>>>> Tim Pickering wrote: For example, who "owns" a student's thesis, the student or his advisor, when it comes to deciding whether to publish on the web? <<<< Isn't this fairly standard nowdays? In the absence of contractual conditions, Authors generally hold copyright by default, irrespective of the publication medium. So unless the advisor (we would say 'supervisor' in the UK) contributed content, it's the student. Contractual terms could, I suppose, relate to provision of educational services, employment of the student, or award of financial support. The first might be written into general terms of the educational body (ie "student theses are the property of the establishment"), the second is normal in contracts of employment, and the third might be a condition of a grant (eg a Government grant might specify State ownership or, under FIO, no copyright in the US; a company grant might retain IPR). The only argument otherwise might be that the two are co-authors holding joint copyright, perhaps on the grounds that the advisor's intellectual propery (knowledge) was fundamental to the creation, or perhaps included substantial material arising from comments in preparation; there I get lost. Be an interesting argument. Best answer with copyright is to write down the conditions before producing the text! ------------------------------------ Steve Ellison Laboratory of the Government Chemist Queens Road, Teddington, Middlesex ENGLAND TW11 0LY Phone: [ +44 | 0 ]181-943-7325 Fax: [ +44 | 0 ]181-943-2767 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)

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EPSRC final reports on the web
by Paul May 22 Jun '98

22 Jun '98

Hi, I was recently asked by a colleague about the situation regarding putting the final reports for EPSRC grants on the web. He was concerned that some academic bodies, eg the ACS, regard putting articles on a web page as a prior publication and will not then accept them for publication in one of their Journals. Since some of these reports can be quite detailed, and contain figures, diagrams and molecular structures, they may have a point. Can anyone clarify this, or know of a precedent? Regards, ------------------------------------------------------------------------- Dr Paul May, School of Chemistry, University of Bristol, UK tel: +44 (0)117 928-9000 x4276, fax: +44 (0)117 925-1295 <mailto:paul.may@bris.ac.uk> <http://www.bris.ac.uk/Depts/Chemistry/staff/pwm.htm> ------------------------------------------------------------------------- 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)

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Re: EPSRC final reports on the web
by timp＠vt.edu 22 Jun '98

22 Jun '98

In response to Paul Mays' question, Virginia Tech has significant acquaintance with this issue as a result of a recent graduate school requirement for electronic thesis submission and web publication. Several exchanges with ACS led to the conclusion that such thesis publication on the web would be regarded as prior publication and could jeopardize future publications based on that material, as least as far as ACS journals were concerned. There is, of course, alsways the issue of who is going to keep track! However, to be on the safe side, VT has adopted an option that will allow a student and his faculty advisor (who, by the way, do not always have the same interests regarding rapid publication) to withhold web publication for a period of time so that other dependent work can be completed and journal manuscripts can be prepared. Electronic thesis publication will become a more important issue in the future as more universities move toward web publishing. The policy framework that exists today is wholly inadequate to handle many of these issues. For example, who "owns" a student's thesis, the student or his advisor, when it comes to deciding whether to publish on the web? Tim Pickering Virginia Tech ===========> >Hi, > >I was recently asked by a colleague about the situation regarding putting >the final reports for EPSRC grants on the web. He was concerned that some >academic bodies, eg the ACS, regard putting articles on a web page as a >prior publication and will not then accept them for publication in one of >their Journals. Since some of these reports can be quite detailed, and >contain figures, diagrams and molecular structures, they may have a point. >Can anyone clarify this, or know of a precedent? > > Regards, >------------------------------------------------------------------------- >Dr Paul May, School of Chemistry, University of Bristol, UK >tel: +44 (0)117 928-9000 x4276, fax: +44 (0)117 925-1295 ><mailto:paul.may@bris.ac.uk> ><http://www.bris.ac.uk/Depts/Chemistry/staff/pwm.htm> >------------------------------------------------------------------------- > >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) 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)

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Chem3D Net Plugin as a Web-based Molecular viewer
by Rzepa, Henry 20 Jun '98

20 Jun '98

I have just noticed that CambridgeSoft have released Chem3D Net plugin. It supports many types of chemical MIME type files, and the display allows various interesting features not supported by other software, ie the ability to measure geometries. It also reads Gaussian checkpoint files, and allows surface rendering etc. Both Mac and PC versions appear available. Chem3D Net does not however appear to support Rasmol/CSML scripts, and thus all those nifty buttons to highlite functional groups etc that some people have authored to work with eg Chime will not work. It appears to be compatible at the HTML level with eg Chime. Invoke http://www.camsoft.com/plugins/ and click on "Free downloads" 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. 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)

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