July 1997 - chemweb - imperial.ac.uk

Re: Chemical sketchers
by Rzepa, Henry 10 Jul '97

10 Jul '97

I mentioned in my posting about chemical sketchers that some of them might require user registration to use. I am happy to correct that the Tripos one in fact can be accessed without such registration; ie >Thank you for mentioning our Java sketcher in your letter published via >chemweb on Tuesday, July 8. The reference should direct users to our >sketcher applet, which is actually part of a complete example >application for sketching structures and searching databases. The >following URL takes the user there more directly: > >http://www.tripos.com/DNet/applications/SandF/doc/example.html Henry Rzepa. +44 171 594 5774 (Office) +44 594 5804 (Fax) 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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Use of Java for chemistry
by Rzepa, Henry 08 Jul '97

08 Jul '97

There appears to be a significant momentum in the creation of interesting Java applets for Web use. Some relatively new to me are http://mc2.cchem.berkeley.edu/Java/ (small applets illustrating color) http://www.chimie.fundp.ac.be/javas/he_dz_java.html (a full blown SCF calculation on the helium atom) Lots of new molecular sketchers, including one ACD labs have kindly let us use for the ECTOC-3 conference http://www.ch.ic.ac.uk/ectoc/ectoc-3/mol_search_java.html and this one http://daylight.daylight.com/pmsp/ which is the fastest I have thus far seen. There are of course many other chemistry Java applets out there, but they seem to be hidden behind web pages that require registration (free or otherwise, such as http://www.java.isolnet.com/java/java_invds.html or http://www.tripos.com/discovery.net/top.html ) I certainly recommend also seeing e.g. the MSI Gene/Polymer explorer modules if you can get a demo. I also note that a new form of technology (programs written in C++ or other "old languages, but surrounded by a so-called CORBA wrapper and placed onto a CORBA server) can be accessed by Java applets in the client-server model. This allows server-side computations to be performed without the performance hit that Java sometimes imposes. Any good examples of this form of computing again please post to this forum. Finally, I note http://www.odi.com/ which mentions the adoption of a technology called PSE in Netscape and IE browsers. This is a so called "persistent object store", which in effect (as I understand it; elaborations welcome) can be used to create an object database out of Java classes cached by your browser on your hard disk. This sounds like a mechanism for greatly reducing download times for Java applets, and a technology which gives much room for thought (if it can be done for Java, why not for chemistry!!). If anyone comes across other molecule sketch programs or other interesting Java applets, do please post to this list. We try to maintain a chemistry list of these things at http://www.ch.ic.ac.uk/java/ 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. 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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browser profiles over the last 18 months
by Mark Winter 08 Jul '97

08 Jul '97

For your interest I enclose percentage browser stats for the last 18 months. There's all sorts of reasons why these numbers aren't scientific but the apparent trends are interesting anyway. You may find these numbers helpful when deciding what features to implement on your pages. 1996 Browsers vers Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec MSIE all 3.9 3.6 5.8 6.4 5.2 5.7 7.3 7.5 9.8 10.2 12.1 14.2 Mosaic all 3.1 3.1 2.9 3.0 2.4 2.0 1.8 1.6 1.1 0.8 0.6 0.5 NetScape 0.9 1.6 0.8 0.9 0.5 0.6 0.4 0.3 0.2 0.1 0.2 0.1 0.1 NetScape 1 7.0 4.2 3.0 2.5 2.8 2.0 1.1 0.9 1.0 0.8 0.6 0.5 NetScape 1.1 30.3 25.8 21.7 18.3 14.9 12.6 9.0 7.8 4.8 4.9 3.6 2.4 NetScape 1.2 22.7 19.1 16.9 11.8 13.4 9.8 6.7 6.8 6.0 5.0 3.9 2.8 NetScape 2 26.8 37.2 44.0 51.3 50.4 53.3 53.4 52.7 44.8 40.4 38.0 35.5 NetScape 3 0 0 0.1 2.2 6.0 11.1 17.8 20.2 29.7 35.0 38.8 41.5 NetScape 4 0 0 0 0 0 0 0 0 0 0 0 0.1 1997 Browsers vers Jan Feb Mar Apr May Jun MSIE all 15.2 15.4 17.6 16.6 17.1 19.4 Mosaic all 0.2 0.2 0.2 0.1 0.1 0.1 NetScape 0.9 0.0 0.0 0.0 0.0 0.0 0.0 NetScape 1 0.2 0.4 0.3 0.1 0.1 0.1 NetScape 1.1 1.3 0.9 0.7 0.8 1.4 0.4 NetScape 1.2 1.4 1.5 0.9 0.7 0.8 0.7 NetScape 2 33.8 31.9 28.7 25.7 22.7 18.6 NetScape 3 45.6 47.3 48.5 52.4 53.6 55.5 NetScape 4 0.9 1.2 1.8 2.6 3.2 3.9 All other browsers are very small. About 5000 variants of browsers were logged over the 18 months - but only 1400 were active in the last 3 months! NetScape Version 3 use is still increasing (at the expense of version 2). Version 4 is only increasing slowly - perhaps chemists are not inclined to use it because of problems involving it and CHIME? MS InterNet Explorer (all versions) is rising and is now nearly 20%. More than 97% of all hits are NetScape (v2 or better) + MSIE (all versions) so it appears barely worth bothering to use other than these for site testing. Platform 1996 Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec Macintosh 23.2 23.5 24.9 25.5 19.6 22.3 26.7 19.8 18.3 20.6 21.4 19.3 PC 64.3 62.3 61.9 59.9 63.2 62.6 59.4 66.7 71.8 71.0 71.1 72.5 Unix 11.9 12.9 12.1 12.4 15.6 13.6 12.6 12.1 9.0 7.4 6.5 6.9 Newton 0 0 0 0 0 0 0 0 0 0 0 0 1997 Jan Feb Mar Apr May Jun Macintosh 19.5 20.9 18.7 20.2 19.0 21.5 PC 72.1 72.3 74.5 73.0 74.3 70.4 Unix 7.2 5.8 5.7 5.9 5.9 6.4 Newton 0 0 0 0 0 0 No very obvious change. The Newton (messagepad + emate) is my outsider to reach 0.1% by the end of 1997! So far I have had about 6 hits (all from me though!). Dr Mark J Winter (Deputy Head of Department) Department of Chemistry, The University, Sheffield S3 7HF, England tel: +44 (0)114 222 9304 fax: +44 (0)114 222 9303 e-m: mark.winter(a)sheffield.ac.uk http://www.shef.ac.uk/~chem/staff/mjw/mark-winter.html WebElements is the periodic table on the world-wide web: http://www.shef.ac.uk/~chem/web-elements/ The Sheffield Chemdex is a listing of chemistry sites on the world-wide web: http://www.shef.ac.uk/~chem/chemdex/ 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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RE: messages on lists
by Bill Town 07 Jul '97

07 Jul '97

May I offer my apologies to users who have experienced problems in joining ChemWeb today. To quote our system administrator: "The Oracle database ran out of allocated space in the last twenty minutes. The allocated space has been increased so this will never happen again." If you have had problems joining us recently please try again. Bill Town, Chief Operating Officer, ChemWeb, Inc. 34-42 Cleveland Street, London W1P 6LB England Tel: +44 171 323 0323 Fax: +44 171 580 1938 e-mail: billt(a)cursci.co.uk URL: http://chemweb.com/ ---------- From: owner-piug-l Sent: 07 July 1997 17:18 To: Wendy Warr Cc: chminf-l; mol-diversity; isisforum-l; acsmedi; cds-list; chemind-l; piug-l; chemweb Subject: messages on lists Dear Dr. Warr, You have a useful and informative site, and commend your efforts at combining a number of chemical archives. Per your recommendation I tried to register at http://www.ChemWeb.com , but their database script failed. We operate a member-driven on-line exchange for technology equipment (particularly for chemistry) at http://www.equex.com , and would be interested in your suggestions on appropriate venues for informing the chemical research community of its utility and existance. Does ChemWeb have an appropriate advertising/review section? TIA. Sincerely, Howard K. Schmidt, Ph.D. > Wendy Warr wrote: > > I am running a service in The Alchemist webzine on > ChemWeb.com summarizing the messages put on listserves > during the preceding month. For this "Filternet" service, I ignore > job postings, meetings announcements, and "trivia". (I do use > the meetings announcements where relevant for my own Web > site or for ChemWeb.com's events listing.) I would welcome > comments on how useful this Filternet service is and how it > could be improved. > > In order to run Filternet, I use the Web archives of the lists. At > the moment I am covering chminf-l, mol-diversity, and > chemweb. I am also doing my best to cover piug-l but the > archive is out of date and has some "oddities". I am ignoring > chemind-l because it appears to be dead but I will cover it if > someone officially informs me that it has a real owner and a > usable archive. > > Sadly I cannot cover ACS MEDI or isisforum-l because they do > not have Web archives (yet). > > Membership of ChemWeb.com is FREE. Sign in, go to The > Alchemist and select Filternet. (You might also like to read Warr > Zone and its archives while you are there.) > > (Apologies for duplicates caused by posting this message to > multiple lists.) > > 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. > 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) -- ------------------------ a.k.a. -------------------- Howard K. Schmidt, Ph.D. mailto:hks@equex.com EQUEX - The Equipment Exchange http://www.equex.com 2476 Bolsover, Suite 526 Houston, TX 77005 Phone: (713) 523-4747 Fax: (713) 523-4747 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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Filtering messages on lists
by waw22＠xtrn.org 07 Jul '97

07 Jul '97

I am running a service in The Alchemist webzine on ChemWeb.com summarizing the messages put on listserves during the preceding month. For this "Filternet" service, I ignore job postings, meetings announcements, and "trivia". (I do use the meetings announcements where relevant for my own Web site or for ChemWeb.com's events listing.) I would welcome comments on how useful this Filternet service is and how it could be improved. In order to run Filternet, I use the Web archives of the lists. At the moment I am covering chminf-l, mol-diversity, and chemweb. I am also doing my best to cover piug-l but the archive is out of date and has some "oddities". I am ignoring chemind-l because it appears to be dead but I will cover it if someone officially informs me that it has a real owner and a usable archive. Sadly I cannot cover ACS MEDI or isisforum-l because they do not have Web archives (yet). Membership of ChemWeb.com is FREE. Sign in, go to The Alchemist and select Filternet. (You might also like to read Warr Zone and its archives while you are there.) (Apologies for duplicates caused by posting this message to multiple lists.) 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. 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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Elemental Discoveries
by David Bradley Science Writer 07 Jul '97

07 Jul '97

The Summer Special of Elemental Discoveries is now available take a nose An amazing theory about how we smell is set to put noses out of joint everywhere...read on to find out why the vibrations up your nose might be more important to the sweet smell of success than picking molecular locks. http://homepages.enterprise.net/bradley/elem1.html David Bradley ------------------------------------------------------- | David Bradley Science Writer | | Bradley(a)enterprise.net | | Tel/Fax +44 1223 440834 | | | | Elemental Discoveries: chemical happenings on the web | | http://homepages.enterprise.net/bradley/elem1.html | | | ------------------------------------------------------- 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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WANTED: Info on Chemists Use of the Internet
by Howard K. Schmidt 03 Jul '97

03 Jul '97

Jeremy, > There is a (good) online questionnaire at > http://www.shef.ac.uk/uni/academic/I-M/is/students/intro.html . . . Useful questionnaire (I took it). I would very much like to see the results of same. Please post the results to this list, or email be at EQUEX when the votes are in... Thanks, Howard ------------------------ a.k.a. -------------------- Howard K. Schmidt, Ph.D. mailto:hks@equex.com EQUEX - The Equipment Exchange http://www.equex.com 2476 Bolsover, Suite 526 Houston, TX 77005 Phone: (713) 523-4747 Fax: (713) 523-4747 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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Winners of "Top 5% Chemistry Site" Award!!
by Rolf Claessen 02 Jul '97

02 Jul '97

Winners of "Top 5% Chemistry Site" Award!! The Homepage for Chemists http://www-public.rz.uni-duesseldorf.de/~knecht/chempage.htm and Rolf Claessen's Chemistry Index http://www.geocities.com/Tokyo/5243/award_en.htm announce the winners of the "Top 5% Chemistry Site" - Award, wich honours the best 5% of the applications. The award is given to pages that are chemistry related, highly informative, make use of the latest technology and are easy to explore. Yours sincerely, Rolf Claessen 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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Job opportunity
by Dr Mary Masson 02 Jul '97

02 Jul '97

A full-time position is available in the Chemistry Department, Aberdeen University from 1/9/97 or as soon as possible thereafter to develop software for teaching organic chemistry. The position is for one year only and the salary will be on the RA1A payscale (depending on qualifications and experience). Requirements: a first degree in chemistry and a higher degree (preferably PhD) in organic chemistry; good communication skills; some experience of and interest in teaching undergraduates; a thorough understanding of curly arrow mechanisms. Programming ability is NOT required. Aims: to develop software which will allow undergraduates (Scottish second year predominantly), working independently, to practise and develop the skill of writing curly arrow mechanisms for organic chemical reactions. A programming format will be provided, probably based on Web-authoring tools, and the person appointed will be expected to use a drawing package (e.g. ChemDraw or ChemWindow) to create structures and feedback for the students to learn from. The person appointed will be willing to work independently with guidance from Dr. Susan Armstrong (organic chemical aspects) and Dr. Mary Masson (computing aspects). If successful the work may be published in, for example, the Journal of Chemical Education. There will also be some opportunities to teach undergraduate classes during the year. Interested chemists should contact Dr. Armstrong (s.k.armstrong(a)abdn.ac.uk) as soon as possible, and in any case by 14th July, with a full CV and the names of two referees (including at least one organic chemist). ---------------------- Dr Mary Masson Department of Chemistry, University of Aberdeen, Meston Walk, Old Aberdeen AB24 3UE Tel. 01224 272931 m.masson(a)abdn.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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