February 1997 - chemweb - imperial.ac.uk

Announcing: CSIR web service
by David E. Bernholdt 21 Feb '97

21 Feb '97

I hope you will find this interesting and useful. We are pleased to announce a new web-based service... Chemistry Software and Information Resources http://www.csir.org CSIR (pronounced caesar) is an information resource for chemistry software, its development, and its use (in the broadest sense). It brings together a great deal of information scattered across the Internet, often hard to find and use, and makes it easily available to anyone with a web browser. CSIR incorporates several major components... * Chemistry Software Exchange A catalog of commercial and non-commercial software for chemists. Right now we have about 140 software packages cataloged in the repository, and clearly that's just a fraction of what's out there. We'd like to make this "the" resource for anyone looking for chemistry-related software, so we need your help to expand our holdings. If you're a software developer, please "submit" your software to CSIR. If you're a software user, tell us about your favorite packages (with as much contact information as you can provide on the supplier). We'll add it to the catalog. The web pages have forms with the information we need. Also for software developers: we can act as an additional distribution point or archive location for your software. We're developing the capabilities to handle "electronic shrinkwrap" license agreements as well. * AskNPAC Chemistry Mailing List Archive Browse or search a large selection of chemistry-related mailing lists and newsgroups. The idea here is to collect in a single place a rather substantial body of information about chemistry-related software, its use, and about chemistry in general which is presently widely scattered across the Internet. In this way, we hope to make it easier to find and use. CSIR currently subscribes to and archives more than 80 mailing lists and Usenet newsgroups of interest to chemists. The archive currently contains more than 60,000 messages, representing about six months of traffic. We plan to add "back issues" where we can, as well. You can browse the archive in a Hypermail-like format, or you can search for specific information in any combination of mailing lists. Information is available on all of the lists CSIR subscribes to, and if you're aware of anything we don't carry we'd love to hear about it. The CSIR web pages contain more information about the goals and design of the system, but you may also want to read a recent Trends in Analytical Chemistry Internet Column about CISR (http://www.elsevier.nl:80/inca/homepage/saa/trac/resource.htm) CSIR is a free service, brought to you by the Northeast Parallel Architectures Center (http://www.npac.syr.edu) at Syracuse University and the National HPCC Software Exchange (http://www.nhse.org) We welcome your feedback on the service and ideas for improvement. NOTE: If your web browser complains that www.csir.org "does not have a DNS entry" or "was not found" (as opposed to "did not respond"), it may be because the browser was too impatient to wait for the DNS lookup to complete (csir.org is relatively new and probably is not widely cached in DNS servers yet). Often if you try exactly the same URL again, it will be successful. This "trick" applies to many relatively new sites, not just CSIR. -- David E. Bernholdt | Email: bernhold(a)npac.syr.edu Northeast Parallel Architectures Center | Phone: +1 315 443 3857 111 College Place, Syracuse University | Fax: +1 315 443 1973 Syracuse, NY 13244-4100 | URL: http://www.npac.syr.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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ChemSymphony
by Nick Lynch 18 Feb '97

18 Feb '97

Cherwell Scientific are pleased to announce ChemSymphony version 2. ChemSymphony is a platform-independent set of interactive JAVA applets that allows 3-D molecular structures to be easily incorporated into HTML documents. The structures can be manipulated in real time, rendered in a variety of styles, and edited by the user. An evaluation copy and further details are available from our web site: http://www.cherwell.com/cherwell We would like to thank ChemWeb members for beta testing this version of ChemSymphony, and for their continued help. This message is also being posted to the CCL and sci.chem, apologies for any cross postings. If you have any questions about ChemSymphony, please let me know Best wishes Nick --- --- Dr Nick Lynch | 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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Re: Electronic Chemistry Thesaurus
by dweisgerb＠cas.org 17 Feb '97

17 Feb '97

In response to Omer Casher's request for information about electronic chemistry thesauri on the web, I would like to encourage him and other interested parties to examine the Chemical Abstracts General Subject Index Vocabulary Search Aid on the CAS web site (http://www.cas.org) The search aid can be accessed by clicking on "New and Revised CA Indexing Terms in 1997" on the CAS homepage, and then clicking on the "search aid". The search aid provides alphabetical, hierarchical, and word search access to the terms used in the Chemical Abstracts (CA) general subject index vocabulary. Terms are hyperlinked to broader, narrower, and related terms in the CA index vocabulary; some synonymous terms are also given. Under the hierarchical arrangement, users will find CA index terms arranged in hierarchical relationships to the full set of terms in the vocabulary, similar to that of a thesaurus. While the vocabulary is not yet presented in the form of a full thesaurus, the CA search aid provides access to a wide range of chemical terms arranged in a useful hierarchical fashion. It should be recognized that the terms are those used in CA indexing and therefore they represent only those ideas that are frequently indexed (i.e., not all chemical terms are included). Also, specific chemical substance names are not included. David W. Weisgerber Editor, Chemical Abstracts Service ----- 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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ANNOUNCE: Elemental Discoveries Issue 3
by David Bradley Science Writer 17 Feb '97

17 Feb '97

Just to let you know that the all new Chime aware (hopefully) Elemental Discoveries is now available for viewing. You can use the same URL as before to get to it as this is now the index page: http://homepages.enterprise.net/bradley/elem1.html Please get in touch with comments, suggestions and ideas for inclusion in the next issue. NB My e-mail system can automatically filter out any harsh unwarranted criticism you have been warned! Cheers Dave Bradley -------------------------------------------------------- | David Bradley Science Writer | | Bradley(a)enterprise.net | | Tel/Fax +44 1223 440834 (Intl) | | Tel/Fax 01223 440834 (UK) | | | | http://homepages.enterprise.net/bradley/bradhome.html | -------------------------------------------------------- ----- 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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Electronic Chemistry Thesaurus
by Omer 12 Feb '97

12 Feb '97

I'm trying to track down an electronic chemistry thesaurus, preferably one that is accessible and searchable via the web. Does anybody have any pointers? Thanks, Omer -- Omer Casher http://www.ch.ic.ac.uk/omer/ Web Mechanic +44 171-594-5795 Department of Chemistry o.casher(a)ic.ac.uk Imperial College, London SW7 2AY ----- 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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Chemical Web Marketing & Technology
by Patrick M. van der Valk 12 Feb '97

12 Feb '97

(this message is cross posted to several mailing lists) We would like to announce the release of a new email based cyberzine: CHEMICAL WEB MARKETING & TECHNOLOGY This newsletter is a combined effort of ChemConnect <http://www.chemconnect.com> and BetaCyte <http://www.betacyte.com>. With this publication we try to focus on improving the online efforts of organizations in the chemical market sector. Although it will be of much interest to webmasters and marketing managers, anybody can subscribe and learn from it. CWM&T is published monthly and covers subjects that range from the use of email and JavaScript, to online advertising and the Chemical Markup Language. Subscription to the cyberzine is free and can be obtained by sending an email to <cwmt(a)chemconnect.com> with in the subject line: subscribe. The WWW edition is available each month at <http://www.betacyte.com/cwmt.shtml> Regards, Patrick M. van der Valk Senior Consultant +---------------------+----------------------------------------+ | | CHEMICAL WEB MARKETING & TECHNOLOGY | | ~~~~~~ | a free Cyberzine for professionals | | (') (') | http://www.betacyte.com/cwmt.shtml | +----.oooO-- (__)--Oooo.---------------------------------------+ | BetaCyte: Internet Consultants for Companies in the Chemical | | Market Sector. http://www.betacyte.com - valk(a)betacyte.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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Re: viewing PDB-files in MS Internet Explorer
by Paul May 11 Feb '97

11 Feb '97

Hi, > > > Try RasMol, it will work on any system, and there is a plug in for just > > about every platform,,, There's another viewer called Weblab, available free from www.msi.com which is the Rolls Royce of 3D viewers (for freeware at least). It not only shows 3D structures in any format you care to mention (pdb, mol, etc), it converts 2D line drawings made in Isisdraw, Chemdraw or Chemweb to proper 3D structures(!), and automatically adds hydrogens in the correct stoichiometry and orientation. It also allows you to display the files in many more interesting ways that Rasmol (e.g. ladders and arrows for DNA), and it allows you to *edit the 3D structure* by simply clicking on one of the atoms and deleting it or dragging it to a new position. This is a truly wonderful program, and well worth checking out. Regards, ----------------------------------------------------------------------------- Dr Paul May, School of Chemistry, University of Bristol, UK tel: +44 (0)117 9287667, fax: +44 (0)117 9251295 email: paul.may(a)bris.ac.uk WWW: http://www.bris.ac.uk/Depts/Chemistry/staff/pwm.htm "Sarcasm is the lowest form of wit. Yeah, right...." ----------------------------------------------------------------------------- ----- 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 : Profiles
by Claude.C.LUTTMANN＠RPR-RD-CRVA-CHIMIE.RP-RORER.rp.fr 11 Feb '97

11 Feb '97

Hi Dave, I could be interested by being 'profiled'. I am working in a pharmaceutical industry (Discovery/Research) as a modeler and some experience in information system (especially in 3D). Dr. Claude LUTTMANN Rhone-Poulenc Rorer CRVA, B.P. 14, 13 quai Jules Guesde F-94403 Vitry-sur-Seine Cedex Fax : + 01 55 71 80 14 Phone : + 01 55 71 38 30 E-mail : LUTTMANN(a)RP.FR ----- 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: viewing PDB-files in MS Internet Explorer
by Bryan Van Vliet 10 Feb '97

10 Feb '97

Chime will install into the plugins directory of Internet Explorer and will render structures (at least for Internet Explorer 3.0 on Windows 95 and NT.) The installer for Chime 1.0 will allow you to install in a plugins directory other than the one for Netscape Navigator. Chime scripting will not work in Internet Explorer, which means that you will not be able to run some of the interesting Chime tutorials that are available on the Web. This is because Internet Explorer doesn't support all of the capabilities of Netscape plug-ins, including executing a JavaScript command from a plug-in. This also means that you will not be able to access Chemscape Server from Internet Explorer. We do have a prototype of Chime Pro with an ActiveX wrapper around it. We are planning to provide this to corporate users who wish to use Chemscape Server from Internet Explorer in a corporate Intranet. Currently, we have no plans to provide an ActiveX version of basic Chime for the Internet. As soon as we did that, every Chime tutorial creator would have to support 2 kinds of embedding technology. For example, in Internet Explorer, rather than supporting the <EMBED> tag, you must create a Chime Control object and use properties instead of <EMBED> tag options to control Chime: ChimeCtl.src = "my.pdb" ChimeCtl.display3d = "ball&stick" To insert a Chime/ActiveX object, you have to use the ActiveX Control Pad which inserts the proper reference to the Chime/ActiveX control (and sticks a really nasty >40 character ActiveX control identification string into your HTML page.) If we were to release Chime/ActiveX to the Internet, Chime tutorial writers would have to support 2 sets of scripts, one for ActiveX and one for the plug-ins version. It would really be great if Microsoft completely supported Netscape plug-ins so the chemical community wasn't faced with a lot of work. Plug-ins basically work well in Internet Explorer, Microsoft just needs to complete support of a few items (like type="" as an EMBED tag option and the ability to reference a javascript: URL.) I don't think that 2 types of embedding technology on the Internet is the solution. Thanks, Bryan ------------------------------------------------------------------------ | Bryan Van Vliet bryan(a)mdli.com | | Project Manager, Internet Technologies 510.895.1313 x1160 (Voice) | | MDL Information Systems, Inc. 510.352.2870 (Fax) | | 14600 Catalina Street, San Leandro, CA 94577 http://www.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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Re: viewing PDB-files in MS Internet Explorer
by Keith Wilkinson 10 Feb '97

10 Feb '97

> >Is it possible to view PDB-files from MS Internet Explorer? > >Following the guidelines given at the ECHET96 homepage, I downloaded chime > >from MDL for Windows95, only to find that chime will only work with > >Netscape Navigator, not with MS Internet Explorer. Try RasMol, it will work on any system, and there is a plug in for just about every platform (EVEN the Acorn, if there are still any acorn users out there!). Available from: http://src.doc.ic.ac.uk/packages/rasmol/ It's transparent in operation, just pops up when you view a pdb file whether on the web or via the file manager/explorer. There's a list of Rasmol related links via the Royal Society of Chemistry's website or at ours at: http://schools.sys.uea.ac.uk/schoolnet/winchester/chemistry.html and links to libraries of rasmol files (there are heaps!) and are brilliant as a teaching support and a simple way to introduce young chemists to a practical use of the web! All the best, Keith Wilkinson Winchester College ----- 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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