September 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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Chemistry Indexes, Abstracts Web Page
by Nancy Buchanan 30 Sep '97

30 Sep '97

The following web page is now available: Chemistry Indexes, Abstracts, Bibliographies, and Table of Contents Services http://info.lib.uh.edu/indexes/chem.htm This page contains links to Internet-based tools for finding chemistry-related journal articles, preprints, research papers, proceedings, and similar materials. It was created and will be maintained by Nancy Buchanan and Jennifer Atkinson of the University of Houston Libraries. A list of all the pages in this series is available at http://info.lib.uh.edu/indexes/indexes.htm. If you have any suggestions for additions to this page, please e-mail me at NBuchanan(a)uh.edu. Nancy Buchanan NBuchanan(a)uh.edu Coordinator of Electronic Resources University of Houston Libraries University of Houston Houston, TX 77204-2091 phone: (713) 743-9763 fax: (713) 743-9778 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; (u)nsubscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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InfoChem VINITI et al.
by Dr. Wendy A. Warr 29 Sep '97

29 Sep '97

September 29, 1997 Following the announcement by Beilstein Informationssysteme GmbH (Frankfurt) on July 25, 1997, on an agreement with VINITI concerning the worldwide marketing of VINITI's structural database covering the period 1989-2000 by Beilstein Informationssysteme GmbH, the InfoChem GmbH (Munich) and its subsidiary InfoChimia GmbH (Berlin) have taken legal action and have officially filed a lawsuit against the Beilstein Informationssysteme GmbH in the courts of Berlin. The legal action is based on several serious infringements of rights held by InfoChem's subsidiary InfoChimia GmbH (Berlin). The court hearing is settled for December 1997. ________________________________________________________________________ Coincidentally, I received this press release after the discussion on ChemReact started on chminf-l. It might be of interest to subscribers to other lists - apologies for multiple postings. I have omitted the usual paragraphs "What is InfoChem" etc. If you want to know about InfoChem, visit http://www.warr.com/archive.html#InfoChem Wendy -- 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. 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; (u)nsubscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Neat program to retrieve web info off-line
by Paul May 26 Sep '97

26 Sep '97

Hi, I just came across this neat little program which allows you to obtain information from selected web pages, automatically, without you having to load up a browser and search for the required page each time. The info is sent to you as an email message. At the moment we are using it for trivial things, e.g every Thursday it connects to the Met. Office web page and I get an email message on Friday morning saying "This weekend's weather will be (sunny/wet/etc.....)". Also, as in the example given below, it is being used to contact the web site of the local Showcase Cinema in Bristol and get the listings for the coming week. I could imagine a number of more serious uses, though. For example there are a lot of on-line Journals which have new issues every few weeks. A version of this program could be used to connect to the appropriate site every, say, 2 weeks (or however frequently the site is updated) download the Contents page, and email it to you. You would come in in the morning and there would be a few email messages containing a list of all the latest papers in Journals relevant to you. It requires a Unix system, running C-shell, a 'smart' BSD mail program (since it requires the Mail -s option to work), and Lynx (the text-based web browser). All you need to do is to use the Unix command 'cron' to schedule the program to run at suitable times, and from then on it's automatic. ---- Example program: This automatically retrieves the listings of the local Showcase cinema in Bristol from its web page (http://www.yell.co.uk/yell/ff/br151086.html) extracts the required info (in this case next week's listings), and emails you the result. ----- #!/bin/csh # # Program written by Craig Wilson, Bristol Uni, School of Chem, August 1997. # # First remove the old files. These are stored in /tmp, but could # be called anything and be put anywhere # rm -f /tmp/bri.txt /tmp/briproc.txt >&/dev/null # # Now use Lynx to download the page to a file /tmp/bri.txt. The -dump option # means save the page to a file, not to a screen. You may need to change # the path to wherever Lynx is on your system. # /usr/local/bin/lynx -dump http://www.yell.co.uk/yell/ff/br151086.html >/tmp/bri.txt # # Now create a new file /tmp/briproc.txt, and make the first line the URL # for the cinema page, so you can double-click it in a mail reader like Simeon # echo 'http://www.yell.co.uk/yell/ff/br151086.html' >/tmp/briproc.txt # # Now use grep -v to get rid of some unwanted stuff, and write the output # to the file /tmp/briproc.txt. This is optional, but quite nice if you # bother to take the time. You will have to examine the web page, decide the # parts of it you don't want, and use grep -v to exclude them from the file. # grep -v -e http -e EYP -e Telecomm -e RESTAURANT -e links -e LICENSE -e booking < /tmp/bri.txt >>/tmp/briproc.txt # # Finally, mail the processed output to yourself, including the date. Mail -s "Showcase, Bristol: `date +'%a, %e %b'`" userid@address < /tmp/briproc.txt --------end of prog----- I'd be interested to hear if anyone tries this with one of the on-line Journals, or if anyone comes up with any other serious uses for it. 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> "88.2% of all statistics are made up on the spot" Vic Reeves ------------------------------------------------------------------------- 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; (u)nsubscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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PhD Studentships Available
by Dr. Alan Wilson 25 Sep '97

25 Sep '97

THE UNIVERSITY OF BIRMINGHAM School of Chemistry PhD Studentships The School of Chemistry at the University of Birmingham seeks applications from suitable qualified candidates (e.g. 2.1 or First Class Honours degree or equivalent) for 2 PhD studentships to work with Dr. A Wilson. The project is entitled 'Profiling Spectrometry to Simultaneously investigate the spatial distribution of temperature and chemical species in aircraft exhausts' and is funded by the European Commission DG XII-C Brite-Euram III Programme. Applications are particularly encouraged from candidates with a background in Physical Chemistry, Physics, Engineering or Software Development and are available from 1st December 1997 or as soon as possible thereafter. Informal enquiries may be addressed to Dr A Wilson, (Tel: 0121 414 7189; Fax 0121 414 4403; E-mail: a.wilson(a)bham.ac.uk Further particulars and copies of the Postgraduate Booklet may be obtained from: Postgraduate Admissions Tutor School of Chemistry The University of Birmingham Edgbaston BIRMINGHAM B15 2TT http://www.che.bham.ac.uk/ (Tel: 0121 414 4360; Fax 0121 414 4403) Alan ------------------------------------------------------------- Dr. Alan Wilson V: +44-121-414-7189 School of Chemistry F: +44-121-414-4403 or 4426 University of Birmingham E: a.wilson(a)bham.ac.uk Birmingham, UK W: http://www.che.bham.ac.uk/ ------------------------------------------------------------- Hey! Who took the cork off my lunch??! -- W. C. Fields 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; (u)nsubscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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ANNOUNCE: Elemental Discoveries
by David Bradley Science Writer 24 Sep '97

24 Sep '97

The latest issue of Elemental Discoveries is now available through the usual outlet: http://homepages.enterprise.net/bradley/elem1.html Dave Bradley 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; (u)nsubscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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ANNOUNCE: Conference on Visualisation for the Life Sciences
by Alan Robinson 24 Sep '97

24 Sep '97

My apologies if you receive multiple copies of this, or it is not of interest. Yours faithfully, Alan Robinson. =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-= Frontiers in Visualisation and Human-Computer Interaction '97 "Visualising the Future of the Life Sciences" The Wellcome Trust Genome Campus, Cambridge, UK. 10th and 11th December, 1997 http://www.ebi.ac.uk/fiv97/ =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-= Conference Theme This two day conference will provide an outstanding opportunity to hear some of the world's leading speakers in the related areas of human- computer interaction and visualisation. Review talks on the current uses of visualisation in the biosciences. An arena for professionals in the biosciences and pharmacology to meet with the leading graphics and interaction experts and to develop new ideas and synergies. Hence a major Conference Theme could be expressed as "How can Visualisation be used to extract Information and Knowledge from the Data of these Sciences?" Keynote Speakers on Visualisation The two keynote speakers are: Professor Andries van Dam, Thomas J. Watson, Jr., University Professor of Technology and Education and Professor of Computer Science, Brown University, Providence, RI and Prof. Dr. Jose Luis Encarnacao, Professor Technical University of Darmstadt and Director of the Fraunhofer Institute for Computer Graphics in Darmstadt. Both speakers have been visionary pioneers in establishing the discipline of computer graphics, Van Dam being a founder of SIGGRAPH and Encarnacao being the driving force behind the founding of EUROGRAPHICS. Invited Speakers Professor Paolo Zanella, Head of the European Bioinformatics Institute and Chair in the Faculty of Sciences, Department of Informatics of the University of Geneva. Dr. Jonathan K.C. Knowles, formerly Director of Glaxo Wellcome Research Europe and now Director of Global Research of Hoffmann-La Roche. Dr. Detlev Kroemker, Head of the Animation and HD-Image Communication Department of the Fraunhofer Institute for Computer Graphics. Dr. Jean-Francis Balaguer, Technology Manager for 3D Graphics, artemedia online, Lausanne, Switzerland. Professor Philip E. Bourne, Senior Staff Scientist at the San Diego Supercomputer Center , an Associate Adjunct Professor in the Department of Pharmacology at the University of California San Diego, and an Adjunct Senior Scientist at the Burnham Institute. Dr. Michael Berman, General Manager of Silicon Graphics Biomedical Ltd., a subsidiary of SGI based in Jerusalem, Israel. Dr. Alan Robinson, Visualisation Support for the BioStandards Initiative at the European Bioinforatics Institute. John Wise, currently Head of IT at the Imperial Cancer Research Fund, soon to be Head of Non-Clinical Development Information Management at Roche. Dr. Chris Jones is currently on sabbatical leave at the European Bioinformatics Institute from CERN where he has been responsible for most IT services including a virtual reality project prototyping the next major accelarator and experiments for the year 2005. Conference Programme The Conference Agenda will cover: Frontiers in 3D Human Interactions Applications of Virtual Reality Distributed Computer-Supported Collaborative Working, CSCW-VR Visualisation in the Biosciences Panel discussion on the Conference Theme of how visualisation could be used to extract knowledge from the data Live Demonstrations of the state of the art of Visualisation, including 3D stereo projection in the auditorium and high speed link to Darmstadt There will also be an opportunity for poster submissions and a trade show. Conference Location The Conference will take place in the newly completed conference facilities at the Wellcome Trust Genome Campus in the grounds of Hinxton Hall, Cambridge, UK. The campus is the site of The European Bioinformatics Institute, The Sanger Centre and the UK MRC Human Genome Mapping Project Resource Centre. The Conference Banquet will take place in the Dining Hall of King's College, Cambridge. Conference Registration The Closing Date for early registration and submission of abstracts is 10th November, 1997. Late registration will be possible from the 11th November, however the registration fee will increase by 50 GBP. Registration forms are available at the conference web site: http://www.ebi.ac.uk/fiv97/ Frontiers in Visualisation '97 is supported by the Astra Bioinformatics Centre. Requests for further information and questions should be addressed to Chris Jones (Chris.Jones(a)cern.ch) or Alan J. Robinson (alan(a)ebi.ac.uk) ============================================================ Alan J. Robinson Tel:+44-(0)1223 494625 EMBL Outstation Fax:+44-(0)1223 494468 European Bioinformatics Institute Email: alan(a)ebi.ac.uk Wellcome Trust Genome Campus Hinxton, Cambridge, CB10 1RQ, UK http://industry.ebi.ac.uk/~alan/ ============================================================ 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; (u)nsubscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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TERCERA JORNADA DE ESTUDIANTES DE QUIMICA
by CAA Quimica Univ Catolica Valparaiso 22 Sep '97

22 Sep '97

El Centro de Alumnos de Quimica de Universidad Catolica de Valparaiso realizara la TERCERA JORNADA DE ESTUDIANTES DE QUIMICA a realizarse en la Casa Central de nuestra Universidad, los días 23 y 24 de Octubre del presente año. Esta actividad está pensada por y para estudientes de pre-grado de carreras del área quimica. Por esto queremos pedirte que te contactes con nosotro para conocer mas detalles (costo, estadia, carrete,etc. A traves de: Internet http://www.ucv.cl/doc/congresos/jqui E-mail caqui(a)mail.ucv.cl FAX 56-32-273422 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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FW: Alchemist update: 19 September 1997
by Bill Town 22 Sep '97

22 Sep '97

Apologies for multiple postings. ChemWeb.com has implemented an e-mail update service for updates to The Alchemist (ChemWeb's electronic magazine for the chemical community). You can now receive an e-mail update highlighting the latest stories in The Alchemist each week. You can subscribe to this service from The Alchemist home page (http://chemweb.com/alchem/home.html) or directly from the GetReminded URL indicated in the sample update message below. Bill Town, Chief Operating Officer, ChemWeb, Inc. 34-42 Cleveland Street, London, England W1P 6LB Tel.: +44 171 323 0323 Fax: +44 171 580 1938 e-mail: billt(a)cursci.co.uk URL: http://chemweb.com/ ---------- From: GetReminded Mailer Sent: 19 September 1997 20:11 To: billt Subject: Alchemist update: 19 September 1997 To unsubscribe visit: http://www.getreminded.com/html/unsubscribe.html ---------------------------------------------- The new issue of The Alchemist is available now at http://chemweb.com/alchem/home.html This week we report on novel pigments which change colour depending on viewing angle, much to the delight of car manufacturers, the disturbing news of people acquiring infections in hospital and new progress in the hunt for cancer and HIV drugs. In research news read about self-organising synthetic oligomers, de-inking paper for recycling purposes and copper particles which can form electrical circuits by directed electrochemical growth. This week's Java applet is from Carnegie-Mellon University and is a wide ranging tutorial on physical chemistry covering such matters as "Why things have colour" to a "Particle in a box simulator". WebPicks stays on a similar theme with "Theory of Atoms in Molecules" and "Niven´s Wonderful World of Chromatography". Brush up on your Hamiltonian operators and HPLC skills here. It's not all chemistry though. We also take a look at the forthcoming Ryder Cup. Editorial impartiality forbids The Alchemist team from taking sides, but let's just hope the best team wins (provided it's Europe). Elsewhere, David Bradley muses over atmospheric carbon dioxide levels in Catalyst and we profile Vladimir Kren from the Czech Academy of Sciences. Thank you for your continued interest in The Alchemist. Next issue: 26 September. ---------------------------------------------- GetReminded.Com - FREE Email Reminder Service http://www.getreminded.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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Virtual Course in Structure-Based Drug Design
by peter murray rust 18 Sep '97

18 Sep '97

VIRTUAL COURSE in STRUCTURE-BASED DRUG DESIGN from the Virtual School of Molecular Sciences The VSMS at the University of Nottingham, UK, is offering a postgraduate Certificate/Diploma course in Structure-Based Drug Design, aimed at professional scientists in industry and academia. The course is VIRTUAL, being run over the WWW, and has been created with the close cooperation and sponsorship of 4 companies: Glaxo Wellcome, Oxford Molecular Group, Pfizer and Smith Kline Beecham. The course is modular and covers the principles of how ligands interact with macromolecular targets, and the theory and practice of molecular modelling. It also covers the use of biomolecular resources on the WWW. The course is available to anyone with a relevant degree in a scientific subject and is self-paced, taking between 1 and 2 years. In past virtual courses we have been able to grow a virtual learning community and this is one of the attractions of this approach. We are now taking registrations this autumn/fall and details can be found under the course home page at: http://www.vsms.nottingham.ac.uk/vsms/sbdd or e-mail me at: peter.murray-rust(a)nottingham.ac.uk We also welcome enquiries from individuals or groups who wish to study part of the course, and the first module offered in this way will be 'Molecular Modelling' lasting a virtual month. Peter Murray-Rust (PeterMR, http://www.nottingham.ac.uk/~pazpmr) Director, VSMS (Virtual School of Molecular Sciences) Pharmaceutical Sciences, Nottingham Univ. NG7 2RD, UK; T: 44-115-9515025 F: 5110 http://vsms.nottingham.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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