March 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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Molecule of the Month - April
by Paul May 31 Mar '98

31 Mar '98

Hi, April's MOTM is MCM-41, a silicate material used in catalysis. The page comes in 3 varieties, HTML-only, Chime-enhanced, and one utilising a java-applet to allow the user to design their own structure for the molecule by choosing the different numbers of hexagons/tetrahedra from which it is composed. The page has been created by Vladimir Gusev, a computational chemist working out of Princeton, USA. As usual, all links can be found from: http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm 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> "Can you imagine a world in which there are no hypothetical situations?" ------------------------------------------------------------------------- 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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Oxford Molecular Group
by Andrew Lloyd 30 Mar '98

30 Mar '98

For immediate release Oxford Molecular Announces a Property Discovery Service New, Innovative Service Boosts Lead Optimization Capabilities Oxford, 30 March 1998 - Oxford Molecular Group, PLC (London Stock Exchange: OMG), introduces four upgraded software products and an innovative service for the chemical and pharmaceutical industry at the Spring meeting of the American Chemical Society (ACS). Through its "Property Discovery Service" Oxford Molecular can now provide companies with the ability to accurately predict physicial and chemical properties using state-of-the-art technologies on entire libraries of compounds and store them in RS3 Discovery (built in Oracle®). By having consistent, reliable property data available in Oracle databases, researchers can easily identify compounds that have desired sets of properties for further research. This information helps chemists take full advantage of their company's extensive investment in chemical libraries. Oxford Molecular's "Property Discovery Service" offers exceptional quality, delivering accurate property predictions on any compound. Property data on an entire library of compounds can be generated rapidly with the appropriate hardware. The first contract for this service has been signed with a major pharmaceutical company. New software upgrades introduced at the ACS conference include: RS3 Discovery HTS version 1.2, new releases for the popular CAChe® desktop chemistry program for both Windows® and Macintosh®, and UniChem version 4.1. Oxford Molecular's newest HTS program handles both in vitro and in vivo data, expanding on the leading screening program for handling low to high volumes of biological and chemical data. New features of CAChe 3.1 for Windows include high-accuracy quantum mechanics and NMR prediction, stereo 3D visualization and polymer properties to improve chemists' ability to accurately predict chemical and physical properties. UniChem 4.1 includes a new version of DGauss, a density functional theory package, that offers higher performance on all platforms, from Windows NT workstations to the Cray T3E with 128 processors. - ends - For further information please contact: UK US Tony Marchington, D.Phil. Suzanne Mattingly, Ph.D. Chief Executive Officer or Vice President, Global Marketing Professor David Jackson Oxford Molecular Group, Inc. Chief Operating Officer Tel: +1 408 879 6300 Oxford Molecular Group, PLC Tel: +44 1865 784600 Andrew Lloyd Andrew Lloyd & Associates Ltd Tel: +44 1273 675100 Notes to Editors About Oxford Molecular Oxford Molecular is a worldwide provider of solutions for discovery research to chemical, pharmaceutical and biotechnology companies and universities. Using the company's wide range of computer-aided molecular design (CAMD) software, advanced bioinformatics tools, cheminformatics solutions and collaborative research services, researchers can reduce both cost and time, expediting discovery across multiple disciplines. Oxford Molecular has strategic alliances with Glaxo Wellcome, Yamanouchi Pharmaceutical Co., Silicon Graphics, Inc. and Digital Equipment Corporation, among others. It is the largest supplier of CAMD software in Japan through its distributor Sony/Tektronix. In addition, Teijin Systems Technology, Ltd., distributes Oxford Molecular's bioinformatics products and Fujitsu distributes its RS3 Discovery software for the management of research information. Oxford Molecular has headquarters in Oxford, England and operations in Erlangen (Germany). US offices are in: Campbell, California; Beaverton, Oregon; Rochester, New York; Towson, Maryland; South San Francisco, California; and Madison, Wisconsin. For product information, please call: US, toll-free: 1-800-876-9994; UK: +44 1865 784600 Web site addresses: http://www.oxmol.com : http://www.oxmol.co.uk Brighton Business Centre 221 bd Raspail 95 Ditchling Road 75014 Paris Brighton BN1 4ST France England Tel: +44-1273 675100 Tel: +33-1 43 22 79 56 Fax: +44-1273 675400 Fax: +33-1 43 20 90 92 email: allo(a)ala.com OR ala-france(a)ala.com (For ALA Paris office only) OR ala(a)pavilion.co.uk (For ALA UK office only) INTERNATIONAL TECHNOLOGY MARKETS STRATEGY & COMMUNICATIONS 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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More chemistry plug-ins available?
by thomas＠chem.uni-potsdam.de 30 Mar '98

30 Mar '98

Dear all, for my lecture in internet for chemists at the potsdam university i am very interested in a overview for chemistry plug-ins. In my list are chemscape chime and the jcamp-dx plug-in. If anybody knows other interesting plug-ins, please mail me! Dr. ST. Thomas University Potsdam http://www.chem.uni-potsdam.de/~thomas mailto:thomas@chem.uni-potsdam.de -- **************************************************************** Laechle und sei froh, denn es koennte viel schlimmer kommen. Ich laechelte und war froh und siehe da, es kam schlimmer. **************************************************************** 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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chemistry webring
by thomas＠chem.uni-potsdam.de 26 Mar '98

26 Mar '98

Hallo, in cooperation with webring (http://www.webring.org) the University of Potsdam proudly present the chemistry on web - Webring. The Home- Page of the ring is http://www.chem.uni-potsdam.de/chemring.htm You can join this ring from this page by using a simple script. Misson of the ring: 1. The Chemistry on Web is a Webring of Web- Sites in Chemsitry. The primary goal is to help the surfers to navigate to the Chemistry Web Space. 2. increase your traffic St. Thomas University Potsdam **************************************************************** Laechle und sei froh, denn es koennte viel schlimmer kommen. Ich laechelte und war froh und siehe da, es kam schlimmer. **************************************************************** 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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Internet Photochemistry and Photobiology conferencing centre
by Paul Heelis 26 Mar '98

26 Mar '98

http://www.photobiology.com Dear All, apologises for cross posting Following the success of the First Internet Conference on Photochemistry and Photobiology, a new web site has been set up to publish the proceedings of the meeting. In addition, we aim to promote the use of the internet in the communication of research and education in all areas of Photochemistry and Photobiology. We would like to hear from the following: 1. Anyone interested in organising a small specialised virtual conference e.g. 10 posters or more substantial events which can be published permanently on the site. 2. Potential authors of reviews on current topics in all areas of photochemistry and photobiology. 3. Authors of technical notes such as guides to procedures, educational articles on the basics of photochemistry and photobiology (undergrad and postgrad audience) 4. Contributors to the A-Z of photochemistry and photobiology Please visit the web site for further details (http://www.photobiology.com or the text only site at http://www.photobiology.com/text.htm) Scientific Panel Paul Heelis (UK) Chairman, Franz Trautinger (Austria), Santi Nonell (Spain), Lars O.Bjorn (Sweden) Irene Kochevar (USA) Bob Midden (USA) Colin Chignell (USA) Ricardas Rotomskis (Lithuania) Nick Kotov (USA) Alexander Udal'tsov (Russia) Marek Sikorski (Poland) Stefan Löfgren (Sweden) Bobby Redmond (USA) Red Chasteen (USA) Olga Dmitrenko (Ukraine) Dezso Gal (Hungary) Kristian Berg (Norway) Jarmo Lahia (Finland)Herbert Hoenigsmann (Austria) Olaf Wiest (USA) Terje Christensen (Norway) Tiina Karu (Russia) Papiya Nandy (India) Regas Santas (Greece) Dr Paul Heelis Reader in Chemistry School of Science and Technology North East Wales Institute Mold Rd Wrexham LL11 2AW UK Tel +44 1978 293372 fax +44 1978 290008 e-mail heelisp(a)newi.ac.uk editor(a)netsci.u-net.com Internet Photochemistry and Photobiology www.photobiology.com Internet Journal of Science- Biological Chemistry http://www.netsci-journal.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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research about chimical compound
by Alexandrine ROUBIERE 23 Mar '98

23 Mar '98

Dear sir, I am looking for any information about epinefrin sulfonic acid (sulfite d'adrenaline) : its molecular formula, its toxicity, its bioavailibility, its pharmalogical activity. It is a compound formed in aquous solution of epinefrin (tartrate or hydrochloride) and sodium sulfite or bisulfite or disulfite. Where can I find these datas ? Thank you in advance. 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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Software to review
by Stephen R. Heller 20 Mar '98

20 Mar '98

March 20, 1998 Subject: Computer Software for Review As the Software Review Editor for the ACS Journal of Chemical Information and Computer Science (JCICS) I often get software for review in the journal. I have one (1) new software product for review. I am looking for people who are willing to review this software product. In return for the review which is published in JCICS you get to keep the software or database. The review should be completed in 1-3 months. The length of the review is 4-10 double spaced typed pages. Sample reviews can be found in most of the recent issues of JCICS. Please try to give me some (short) reason to choose you over another person. DO NOT SAY YOU WILL REVIEW ANYTHING I HAVE AVAILABLE. Messages with such replies are trashed! I have tried this approach for about the past six years and it is working reasonably well. (REMINDER: For those who haven't finished your reviews of software sent months and months ago, this last sentence does not apply to you!) As a result, I am continuing this new method to find reviewers using this e- mail/user group system. I reserve the right to abandon this if it is a problem, or inappropriate. I will not notify people if I have found a reviewer. If you don't hear from me within a few days I have chosen someone else to review the particular package. As I get many, many, (too many) replies to this message, please do not respond after 23 March 1998 (Monday), as I am sure the software will be gone by then. I can be reached on Internet (SRHELLER(a)GIG.US.GOV) PLEASE BE SURE TO INCLUDE AN STREET ADDRESS, PHONE, and FAX NUMBER!!! (I often send the software by Federal Express.) Without this information I WILL NOT consider your request. Steve Heller The package I now have is: gNMR from Cherwell Scientific. gNMR is a program for simulating 1-D NMR spectra for any NMR active nucleus - in a single molecule or in a mixture. Steve Heller, NIST 820 Diamond Avenue, Room 101 Gaithersburg, MD 20899 USA Phone: 301-975-3338 FAX: 301-926-0416 E-mail: srheller(a)gig.usda.gov WWW: www.hellers.com/~steve 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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Derek H. R. Barton (1918 - 1998)
by Shu-Kun Lin 19 Mar '98

19 Mar '98

Derek H. R. Barton (1918 - 1998) With great sadness I learned with confirmation that Dr. Derek H. R. Barton died in the evening of March 16, 1998, of age 80. Professor Barton is a great scientist and a very kind human being. He has been very supportice to our electronic journal, MOLECULES (http://www.mdpi.org/molecules) and served on the Editorial Board. He is also immediately accepted my invitation to be a member of the International Scientific Advisory Committee of ECSOC-1 as well as ECSOC-2 (http://www.mdpi.org/ecsoc-2.htm) The 2nd International Electronic Conference on Synthetic Organic Chemistry. I have attended his lecture entitled "How to win a Nobel Prize" twice. He is very active in research and always ready to embrace new things such as Internet application in chemistry. We exchanged e-mails several times recently. Shu-Kun Lin Editor-in-Chief, MOLECULES President, MDPI --------------------------------------------------------- Dr. Shu-Kun Lin Molecular Diversity Preservation International (MDPI) Saengergasse 25, CH-4054 Basel, Switzerland MDPI http://www.mdpi.org/ Molecules http://www.mdpi.org/molecules/ ECSOC-2 http://www.mdpi.org/ecsoc-2.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. 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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Webmaster Survey
by Sales＠GoGlobal.com 17 Mar '98

17 Mar '98

Dear , If you are not a webmaster and this message has reached you by mistake, please accept our apologies and disregard it. I would like to invite you to participate in a webmaster study. The survey covers the following areas and takes about 10 - 15 minutes: 1. Why do you think visitors come to your website? 2. Purposes of your website 3. How do Webmasters get web research data now? 4. What new information products and services do you want? 5. Webmaster role in your organization 6. Demographic information A summary of results will be provided to webmasters to enable a better understanding of their issues such as comparative compensation across industries and company types. Results will also be available to other constituencies whose job it is to communicate with webmasters. In return for your time, all webmasters who complete the survey will receive a free copy of the webmaster study summary report plus eligibility for a grand prize drawing. For US residents, the grand prize is a free weekend in Las Vegas -- including air travel -- or a large screen TV. For non-US residents the grand prize is a cheque for a US dollar equivalent. The URL to participate is: http://www.ws2.com/wm/start.htm If you received this Email in error, please accept my apology and fell free to forward it to the appropriate person in your workplace. If receipt of this Email offends you in any way, please let me know by replying to the Email with the word remove in the subject. We will make sure to remove you from our list and you will not be contacted by our organization again. Thanks you for your consideration! Tomec Smith WebsiteSurveys & Sales, Inc. 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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