October 1996 - chemweb - imperial.ac.uk

Server configuration to serve RasMol scripts
by Abby Parrill 18 Oct '96

18 Oct '96

Hello Chemwebbers, I am starting to write rasmol scripts for use with RasMol in addition to Chime. I have an operational script and have observed the following problem: The first line in the script is to load a molecule. However, the molecule does not get shipped by the server so RasMol is unable to find the file (not yet being on the client's computer). I don't want to set up the entire PDB on our server, frequently I use small molecules built in other programs so this wouldn't help anyway. What do I need to change to make this work? Thanks in advance- __________________________________________________________ Abby Parrill, Ph.D. Chemistry Department Michigan State University East Lansing, MI 48824-1322 parrill(a)argus.cem.msu.edu __________________________________________________________ ----- 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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Cooltalk
by Rzepa, Henry 17 Oct '96

17 Oct '96

Does anyone have any experience in using the Cooltalk Netscape plug-in? http://www.netscape.com/comprod/products/navigator/version_3.0/communicatio… ltalk/index.html This claims > Its technology will serve as the basis for upcoming > LiveMedia applications that will be based on the recently introduced >H.323 standard. I wonder however how it might be integrated into chemical applications? For example, might one be able to send a molecule for display via e.g. Chime? Or in general any MIME typed document? 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/ (Eudora Pro 3.0) ----- 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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C60 and Java
by Nick Lynch 15 Oct '96

15 Oct '96

Following discussions last week about the ability to display C60 on the web, Cherwell Scientific Publishing announce a pre-release version of ChemSymphony the new Java-based structure viewer showing C60 as one of the example molecules. ChemSymphony is a platform-independent set of interactive Java applets that allows 3-D molecular structures to be easily incorporated into HTML documents. Visit http://www.cherwell.com/cherwell/chemsymphony/ where there is an example of Buckminsterfullerene demonstrating the potential for web based chemistry using Java. The ChemSymphony developer, Anatoli Krassavine, has created the applets to offer easy and attractive chemistry functions for the new generation of Java-enabled browsers. ChemSymphony brings molecular modelling into hypertext documents used in both research and the classroom. ChemSymphony was recently featured at the ACS meeting in Orlando where Anatoli presented an electronic poster describing the features and fucntions of ChemSymphony. The growth of the Internet and intranets has already made electronic publication much easier and Java tools like ChemSymphony will make the user-interaction much simpler and more worthwhile. A demonstration of ChemSymphony is available from Cherwell Scientific's web site and the application will soon be available for downloading. Comments and feedback for future enhancements are invited. Best wishes Nick --- --- Nick Lynch PhD | e-mail: nick(a)cherwell.com Commissioning Editor | Phone: +44 (0)1865 784812 Cherwell Scientific Publishing | Fax: +44 (0)1865 784801 Oxford OX4 4GA, UK | http://www.cherwell.com/cherwell --- --- ----- 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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Symp.Org.Reactivity
by U.C.L. - CICO/Chop (Prof. J.Ph.Soumillion) 11 Oct '96

11 Oct '96

Note: This message is being sent to multiple lists; my apologies if you receive it more than once. ESOR-VI 6th European Symposium on Organic reactivity Louvain-la-Neuve 24 - 29 July 1997 _______________________________________First Circular The Catholic University of Louvain, located in the Belgian city of Louvain-la-Neuve, will host the next conference entitled "European Symposium on Organic Reactivity". This will be the sixth edition of a series of successful meetings held in Paris (1987), Padova (1989), Göteborg (1991), Newcastle-upon-Tyne (1993) and Santiago de Compostela (1995). The conference will be held during the period Thursday 24 to Tuesday 29 July 1997. The scientific sessions will start on Thursday afternoon and the meeting will end at lunchtime on Tuesday. Location ________ Louvain-la-Neuve is located about 30 km South of Brussels in the french-speaking part of Belgium. The city is connected with Brussels by rail and is readily accessible by road (Motorway E411) from everywhere in Europe. Brussels National Airport is linked to all major and most medium-size European cities. The Conference site will be part of the academic facilities of the Catholic University of Louvain (U.C.L.). This University was founded in the old Belgian city of Leuven in 1425 as one of the oldest universities in Europe. In the early 1970's, the french-speaking part of the University moved to a completely new city which was called Louvain-la-Neuve, on the territory of a town named Ottignies. The University population amounts to more than 20,000 students. Courses are organized in all disciplines of human knowledge by ten Faculties : Theology, Philosophy, Law, Economic and Social Sciences, Philology and Arts, Psychology and Educational Sciences, Sciences, Applied Sciences, Medicine and Agronomy. Scientific Programme ____________________ The meeting will be devoted to all aspects of physical organic chemistry. The conference programme will focus on three main topics : 1. Mechanisms and reactivity in organic, bioorganic and organometallic chemistry, including theoretical approaches 2. Photochemical and electron transfer activation processes 3. Molecular recognition and enzyme mechanism. The programme will include 12 plenary lectures, two parallel sessions with their own invited lectures. A limited number of oral presentations will be selected among the submitted contributions. Two separate poster sessions are planned on Friday afternoon and Monday afternoon with comfortable discussion times. Persons wishing to present an oral or poster contribution should submit a one-page abstract according to the format detailed below not later than February 15, 1997 and send it to Prof. M. Devillers ESOR-VI Conference Secretary Catholic University of Louvain Laboratory of Inorganic and Analytical Chemistry 1 place Louis Pasteur B-1348 Louvain-la-Neuve , Belgium Tel. : 32-10 47 28 27 Fax : 32-10 47 28 36 e-mail : devillers(a)inan.ucl.ac.be Plenary lectures ________________ Twelve recognized experts have already agreed to give Plenary Lectures on the following topics : V. Balzani,University of Bologna, Italy, Supramolecular photochemistry. S.J. Benkovic,The Pennsylvania State University, USA, Perspective on biocatalysis. F. Diederich,Swiss Federal Institute of Technology, Zurich, From supramolecular chemistry to medicinal chemistry. J.B. Engberts,University of Groningen, The Netherlands, Vesicles formed from synthetic amphiphiles. Fusogenic behavior and applications as drug carrier systems. J. Fréchet,Cornell University, USA, Designing for novel macromolecular architectures:from concept to applications. B.Giese,University of Basel, Switzerland, Reactivity of DNA radicals. Y. Kishi,Harvard University, USA, Synthetic studies in the field of natural product chemistry. H. Mayr,Technische Hochschule Darmstadt, Germany, Linear free enthalpy relationship : a powerful tool for the design of organic or organometallic syntheses. R. Noyori,Nagoya University, Japan, Asymmetric hydrogenation : mechanistic aspects. M. Poliakoff,University of Nottingham, U.K., Intermediates in organometallic chemistry. P. Schleyer,University of Erlangen-Nürnberg, Germany, Organic reactivity and computational chemistry. I. Willner,The Hebrew University of Jerusalem, Israel, Electroenzymes, photoenzymes and command surfaces - Tailored assemblies for optobioelectronic devices. Abstracts _________ Full one-page abstracts will be reproduced directly from authors'original documents. They should be typed or printed in English using double line spacing on A4 formatted white paper. The whole of the abstract must be contained within a rectangle of size 242 x 165 mm. It will be reduced to 79 %. The headings should be presented in the format given below, including the full line separating text and heading. References should be indicated within square brackets in the text and listed at the bottom of the abstract using standard Chemical Abstracts Source Service Index terminology followed by volume,(year within brackets) , first page. Example: DECOMPOSITION OF NITROSOUREAS IN THE PRESENCE OF DIFFERENT NUCLEOPHILES S. Amado*, A. Andrade, L. Garcia-Rio, J.R. Leis and A.M. Rios, Departamento de Quimica Fisica, Facultad de Quimica, Universidad de Santiago, 15706 Santiago de Compostela, Spain. The reactivity of different nucleophiles toward the ambident electrophile N-nitroso-N,N'-dimethylurea (NDMU) has been investigated. The experimental results... The Book of Abstracts including all lectures and oral or poster contributions will be handed out to all registered participants upon arrival. Social Events _____________ The provisional social programme for Conference participants includes the following events : Thursday : Welcome drink and get-together sandwich buffet at lunchtime Thursday evening : Concert Friday evening : Belgian Cheese and Beer party at the end of the poster session Sunday afternoon : Excursion Monday evening : Conference Dinner An Accompanying Persons' Programme will be arranged for the whole conference period. Further details will be included in the Second Circular. Registration fees _________________ -Normal pre-registration fee before March 31, 1997 BEF 10 000 Registration fee after March 31, 1997 BEF 12 500 -Students before March 31, 1997 BEF 5 000 after March 31, 1997 BEF 6 000 -Participants from Industry before March 31, 1997 BEF 15 000 after March 31, 1997 BEF 18 000 -Accompanying Persons BEF 2 000 Organizing Committees _____________________ Local Organizing committee -------------------------- Chairmen :Prof. J. Fastrez and Prof. L. Ghosez (U.C.L., Louvain-la-Neuve) Conference Secretary :Prof. M. Devillers (U.C.L., Louvain-la-Neuve) Members : Dr. O. B Nagy (U.C.L., Louvain-la-Neuve) Prof. P. De Clercq (R.U.G., Gent) Prof. F. De Schrijver (K.U.L., Leuven) Prof. L. Hevesi, (F.U.N.D.P., Namur) Prof. F. Kirsch-Demesmaeker (U.L.B., Brussels) Prof. A. Laschewsky (U.C.L., Louvain-la-Neuve) Prof. J. Marchand-Brynaert (U.C.L., Louvain-la-Neuve) Prof. J.-P. Soumillion (U.C.L., Louvain-la-Neuve) International Advisory Committee -------------------------------- Prof. P. Ahlberg (Chairman, Göteborg, Sweden) Dr. M. Eckert-Maksic (Zagreb, Croatia) Prof. J. Engberts (Groningen, Netherlands) Dr. R. Leis (Santiago de Compostela, Spain) Dr. H. Maskill (Newcastle-upon-Tyne, England) Prof. R. More O'Ferrall (Dublin, Ireland) Prof. P. Müller (Genève, Switzerland) Prof. M. Page (Huddersfield, England) Prof. Z. Rappoport (Jerusalem, Israel) Prof. M.-F. Ruasse (Paris, France) Prof. G. Scorrano (Padova, Italy) Prof. U. Siehl (Ulm, Germany) For further information, please refer to the Scientific Secretariat of the Conference : Prof. M. Devillers ESOR-VI Conference Secretary Catholic University of Louvain Laboratory of Inorganic and Analytical Chemistry 1 place Louis Pasteur B-1348 Louvain-la-Neuve , Belgium Tel. : 32-10 47 28 27 Fax : 32-10 47 28 36 e-mail : devillers(a)inan.ucl.ac.be or get a moment to see our page: http://www.chim.ucl.ac.be/CHIM/esor.html To receive the Second Circular/Application Form for this Symposium (January 1997), please print and fill in the following form, send it to the Conference Secretary ( or an Email with the same information). DO NOT SEND YOUR REPLY TO THE LIST ! _______________________________________________________________ Title : Prof. - Dr. - Mr. - Mrs. (circle when applicable) Name : ____________________________________________________________ First Name : ____________________________________________________________ Institution : ____________________________________________________________ Address : ____________________________________________________________ ____________________________________________________________ ____________________________________________________________ ____________________________________________________________ tel:_________________ fax:_____________________ e-mail:__________________________________________ I intend to present a short contribution preferably as oral presentation preferably as a poster I have no preference between oral and poster presentation Avec les meilleurs sentiments du laboratoire Chop, Universite catholique de Louvain-CICO-Chop 1, place Pasteur, 1348-Louvain la Neuve (Wallonie-Belgique) tel: 32-10-472713/ fax: 32-10-473074

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Re: Nobel Prize in ChemistryN
by TSKoh 11 Oct '96

11 Oct '96

>1996 Chemistry Nobel prize >ROBERT F. CURL, Jr. , SIR HAROLD W. KROTO , and RICHARD E. SMALLEY for >their discovery of fullerenes. > > >There is a Web page with full details, but although I have seen it, >I did not note it. Anyone know of where it might be? > Try the following URL for the US site: http://www.almaz.com/nobel/Chemistry.html --------- Thiam-Seng KOH (Dr.) Division of Chemistry Tel: (65) 4605175 National Institute of Education Fax: (65) 4698952 Nanyang Technological University Email: kohts(a)nievax.nie.ac.sg 469 Bukit Timah Road Singapore 259756 REPUBLIC OF SINGAPORE http://www.nie.ac.sg:8000/~wwwchem/l-chres.htmlx ----- 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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JCAMP-DX Viewer
by Dr. R.J.Lancashire 11 Oct '96

11 Oct '96

Henry and the ChemWeb and ChemMIME discussion groups Over the summer we have done a complete rewrite of the JCAMP-DX viewer and the new 32-bit version for Windows95, WinNT or Windows 3.1 (if you are using the latest Win32S) is available at http://wwwchem.uwimona.edu.jm:1104/software/jcampdx.html sample files to test are available for IR, UV/Vis, MS, NMR, GC and EPR. The plug-in for Netscape 3 and Internet Explorer 3 is still in beta test form, but should be out very soon. I am developing some web pages that show both IR and PDB (via CHIME) and hope to have the JAVA links fully functional soon so that highlighted atoms can be identified with certain IR frequencies. Still plagued by an intermittent Netscape error which appears even in their SDK kit sample files so waiting until we get it a bit more stable before releasing. Robert __________________________________________________________________ Dr. Robert Lancashire mailto:rjlanc@uwimona.edu.JM Department of Chemistry University of the West Indies, JAMAICA Tel (809) 9358460 http://wwwchem.uwimona.edu.jm:1104/uwichem.html Fax (809) 9771835 ----- 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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Re: Nobel Prize
by Paul Deards 10 Oct '96

10 Oct '96

Henry Rzepa wrote: > Curiously, several attempts to get the New Scientist magazine > interested in the same (C60 chime) have met with considerable lack > of interest. Apparently, its too "complicated" for > most of its readers to acquire a recent browser and > plug-ins. Anyone had or noticed more success with > other general publications? Chemistry & Industry would have no problems with displaying 'Chimed' molecules on its pages, or other new uses of the technology. Progress in web technology only occurs if examples are made widely available. Your reported attitude of New Scientist does seem a bit odd. The use of VRML molecules is one of the few areas where a web page can improve on the printed page. Especially in this case, where it is the unusual structure of C60 (and C70, etc...) that has sparked interest in the fullerenes. The argument that downloading plug-ins is 'complicated' for the average user does have some weight. It's quite easy to forget that many people don't have access to fast academic or company internet access, and rely on slow 14.4kbps modems. Downloading even small plug-ins is an expensive and long procedure for many. However, in this case, the benefits of seeing C60 in 3D outweigh the hassle. Perhaps as a community we should be lobbying for chemical structure interpretors to be bundled in with new versions of Netscape/Internet Explorer, in the same way that sound and video plug-ins are currently bundled. -------------------------- Paul Deards Internet Publisher Chemistry and Industry 0171-2353681 x233 pauld(a)chemind.demon.co.uk http://ci.mond.org/ -------------------------- Advertising with C&I electronic publications is a cost-effective way of reaching a target audience of scientists. For more details, contact us at advertising(a)chemind.demon.co.uk -------------------------- ----- 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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Re: Nobel Prize in Chemistry
by Paul Deards 10 Oct '96

10 Oct '96

>1996 Chemistry Nobel prize >ROBERT F. CURL, Jr. , SIR HAROLD W. KROTO , and RICHARD E. SMALLEY for >their discovery of fullerenes. > > >There is a Web page with full details, but although I have seen it, >I did not note it. Anyone know of where it might be? > It's at: http://www.nobel.se/announcement-96/chemistry96.html ------- -------------------------- Paul Deards Internet Publisher Chemistry and Industry 0171-2353681 x233 pauld(a)chemind.demon.co.uk http://ci.mond.org/ -------------------------- Advertising with C&I electronic publications is a cost-effective way of reaching a target audience of scientists. For more details, contact us at advertising(a)chemind.demon.co.uk -------------------------- ----- 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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Re: Error Condition Re: subscribe chemweb: " Lazarus@thenet.ch"
by Martin Kerrison 09 Oct '96

09 Oct '96

chemweb(a)ic.ac.uk wrote: > > We are sorry, but this system sensed the following request which may have been > inadvertedly sent to this list: > > PLEASE ADD > > If your posting was intentional, please accept our apologies and resend your > mail message, making sure you do not include anything that may look like a > request in the first line of the body of the actual message. If this was > indeed a request please resend it to listserver(a)ic.ac.uk. Your entire message > is copied below. > > ------------------------------------------------------------------------------- > Please add my Name to the subscriptionlist of your great chemnet > service. Thanks. > Name: Martin Kerrison > E-Mail-Adress: Lazarus(a)thenet.ch. > End of message. > ----- > 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) ----- 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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CALL FOR PAPERS - SAN FRANCISCO ACS MEETING - SPRING 1997
by Phil McHale 07 Oct '96

07 Oct '96

NOTE: This message is being sent to multiple lists: my apologies if you receive it more than once. CALL FOR PAPERS ================ MANAGEMENT OF INFORMATION ON AVAILABLE CHEMICALS The Division of Chemical Information (CINF) of ACS is actively soliciting papers for this symposium to be held at the 1997 Spring ACS Meeting in San Francisco, April 13 - 17. The symposium will examine the ways in which information on available chemicals is handled, with a focus on locating compound samples and suppliers; dealing with requisitions, POs and purchasing; constructing and managing inventories; and the interaction between chemical suppliers and their customers. We invite presentations (oral and posters) on the following topics: the use and evaluation of the various sources of information on commercially available chemicals, the issues involved in building, maintaining and using in-house chemical stores and inventories, and the evolution of new ways of doing business with chemical suppliers such as outsourcing, online and WWW-based ordering, and electronic data interchange. Vendors are invited to present research-based papers and objective overviews or comparative studies, but presentations in the form of product reviews are discouraged. If you are interested in contributing to this symposium, either by presenting a paper/poster or by helping with the organization, please contact Phil McHale at the address below, preferably by email. Abstracts on official ACS abstract forms will be required before December 1, 1996 to the same address. PLEASE DO NOT SEND YOUR REPLY TO THE WHOLE LIST. Phil McHale MDL Information Systems, Inc. 14600 Catalina Street San Leandro CA 94577 tel: 510-895-1313 ext. 1378 fax: 510 614 3652 email phil(a)mdli.com ----- 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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