- chemweb - imperial.ac.uk

Re: Chemscape Chime
by h.rzepa＠ic.ac.uk 22 Feb '96

22 Feb '96

>X-Sender: wally(a)ng.netgate.net >Mime-Version: 1.0 >Date: Wed, 21 Feb 1996 15:15:50 -0800 >To: chemind-l(a)derwent.co.uk >From: "Walter E. Reiher III" <wally(a)CompChem.com> >Subject: Re: Chemscape Chime >Cc: h.rzepa(a)ic.ac.uk Someone in the States posted this; >I just downloaded and installed the demo and it looks _very nice_! However, >it appears there may be some problems in it--but then it is "prototype" code. > >It's an implementation of RasMol (MDLI says they're using Sayle's code) that >embeds interactive visualization windows in Netscape pages instead of using >a separate helper app. What's very nice about this is that one can view >interactive, rotatable images in, for example, HTML tables. MDLI has an >example: > > <http://www.mdli.com/chemscape/chime/sample.html> > >There are no 2D examples here, just nice looking 3D. > >I'm running it on a Windows NT 3.51 system, and this does work. Naturally, >I started to fiddle around with the images in this page (a .pdb file and 5 >.mol files), doing things like changing rendering styles just like RasMol. >Nice. Eventually, though, my NT system froze--something which happens very >rarely, and I push my system pretty hard. Seems like there are some >problems to work out but this is a very promising start! Definitely worth >downloading. > >Wally >======================================================================== >Walter E. Reiher III, Ph.D. Wally(a)CompChem.com >CompChem Innovations Consulting in computational chemsitry >P.O. Box 61056 voice 408-720-0240 >Sunnyvale, CA 94088 fax 408-720-0378 > 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/ ----- 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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Atlantic Bandwidth: Cans of Worms
by h.rzepa＠ic.ac.uk 21 Feb '96

21 Feb '96

Note: Repeat send. First one seems not to have gotten through. Apologies if you get this twice. ******************************* You may have noted a certain exasperation about the connection to the USA in my last message. I thought a few words on what I understand to be the current situation might help Two weeks ago, the existing Academic 4 Mbps link was due to be replaced by UKERNA, giving 9 Mbps. In order to install thee circuits, one of the two existing 2 Mpbs links was taken down. The last two weeks we have been operating on 2 Mbps to the USA. When they get the 9 Mbps up, UKERNA then plan (ie around mid March) to add further bandwidth, giving a total of 21 Mbps to the UK academic community. It is my understanding that potential users of e.g. SciFinder will need this bandwidth, since such client-server products rely entirely on such USA bandwidth. Quite what happens after that is unknown to me. Part of the problem is that this 21 Mbps is largely funded from UK sources. The original 4 Mbps link was equally funded from the USA and UK, being of course of benefit to both sides of the pond. As the USA moves more to "end user cost recovery", central funding from the USA side of things for the Atlantic link becomes less certain. Thus the 21 Mbps is NOT funded from the USA. It seems quite likely that further improvements will have to be funded by different mechanisms (this is purely my opinion). It may well be that some universities will decide to fund "private" links to the USA, and charge users for them. To quote Yogi Berra, in the midst of change, the future is not what it used to be. 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/ ----- 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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First chemical Netscape Plug-in
by h.rzepa＠ic.ac.uk 21 Feb '96

21 Feb '96

MDLI have announced Chemscape Chime, a Netscape 2.0 plug in. Available currently only for Windows-95, I have not yet managed to get enough reliable Atlantic bandwidth to download the 800K .exe file. To quote " Chemscape Chime MDL's Chemscape Chime plug-in lets scientists display chemically significant 2D and 3D structures within an HTML page or table. Download Chime and then check out some Chime examples." >From this, I guess its a combined RasMol + ISIS/Draw working in-line on a Netscape page. See it at http://www.mdli.com/chemscape/chime/download.html If anyone manages to get all 800K across, do let us know what this product does! 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/ ----- 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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Self-paced studies at Brown University
by h.rzepa＠ic.ac.uk 19 Feb '96

19 Feb '96

The following; http://www.chem.brown.edu/chem31/ is a self-paced lecture course in organic chemistry at Brown University. I wonder how many more such will emerge? 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/ ----- 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: Market research for ECHET96
by Jeffrey J Gosper 14 Feb '96

14 Feb '96

Concerning animations (3D) in WWW pages: My program Re_View of Windows allows 3D animations of molecules, reactions, etc allowing WWW pages to contain such data.. See http://http1.brunel.ac.uk:8080/depts/chem/ch241s/re_view/re_view.htm for further information. /\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\ Dr. Jeff Gosper Dept. of Chemistry BRUNEL University Uxbridge Middx UB8 3PH, UK voice: 01895 274000 x2187 facsim: 01895 256844 internet/email/work: Jeffrey.Gosper(a)brunel.ac.uk internet/WWW: http://http1.brunel.ac.uk:8080/~castjjg \/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/ ----- 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: Market research for ECHET96
by Karl Harrison 13 Feb '96

13 Feb '96

On Tue, 13 Feb 1996 15:51:26 GMT h.rzepa(a)ic.ac.uk wrote: > Oh, I forgot to mention; you will have to use Netscape 2.0 to see the > effect. > > Anyone with any bright ideas for the presentation of chemistry they > might like to share (as opposed to patent!!) > I have been working on providing animations in web pages to display chemistry. I have found two possible directions which are quicktime and shockwave. c.f. http://www.ncl.ox.ac.uk/quicktime/ http://www.ncl.ox.ac.uk/shockwave/ These are early ideas and will work with Netscape 2.0 and Macs and PC's, and sometimes they don't have to be so large in size. Karl -- Dr. Karl Harrison IT Coordinator and Training Officer Inorganic Chemistry Laboratory, University of Oxford South Park's Road, Oxford, OX1 3QR, UK. Telephone: +44 (0)1865 270834 Fax: 01865 272690 World-Wide Web URL: http://www.ncl.ox.ac.uk/it/karlharrison.html ____________ e-mail: karl.harrison(a)icl.ox.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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Market research for ECHET96
by h.rzepa＠ic.ac.uk 13 Feb '96

13 Feb '96

We are just starting to announce the ECHET96 conference in heterocyclic chemistry; http://www.ch.ic.ac.uk/ectoc/echet96/ Designing such a conference is a juggling act between pushing the technology forward, and giving people what they want as simply as possible. Many synthetic chemists like to browse structures as well as text. Accordingly, I am trying to develop a display tailored specifically for chemists. My first effort is as follows; http://www.ch.ic.ac.uk/ectoc/papers/01/ whereby a split screen shows text and diagrams on the left, with a "structure thumbnail" strip on the right. Click on the (readable) thumbnail to go to the section of the text on the left it refers to. Might I ask anyone interested in feedback? How else might one best browse a chemical diagram? Oh, I forgot to mention; you will have to use Netscape 2.0 to see the effect. Anyone with any bright ideas for the presentation of chemistry they might like to share (as opposed to patent!!) 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/ ----- 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: (i) PURLs (Persistent URLs) and (ii) MOTM
by alan＠acolyte.u-net.com 31 Jan '96

31 Jan '96

Thanks for the info on PURLs, Henry. I believe it will be very useful - as will Peter's additional points. >The system is not quite working yet, but it will soon be so! (HRz) > There >will be many more PURLs than telephone numbers in the world unless only >the toplevel is taken. (PMR) Let's hope the idea receives general support, despite the potentially enormous files. It is indeed amazing how quickly a "bookmarks" list goes out of date, a point I've already had to watch in my brief career looking after commercial sites. ---- Musing about (perhaps, thanks to mauveline, 'turning over'?), the possibility of a MOTM and reading to your recent comments, I thought of offering DAPC (diacetylenylphospatidyl choline - which is not as fearsome as it sounds, is "bio active" (in a surface modification sense) and has an interesting geometry) if only for the reason that I spent a good part of 1994 early '95 working on the ESCA of its coating systems and have a good story to go with some spectra. Two points: I have "Chen 3D" pictures of the structure, but haven't yet found a conversion routine to .pdb format. Does one exist? ESCA spectra are currently being "worked on" by an ISO commitee (ISO/TC 201/SC3) which is about to propagate a new data transfer standard (based on the 'VAMAS' rather than JCAMP format: see:- "Surface & Interface Analysis", Vol. 21, 615 - 620 (1994) and S.I.A. Vol. 13, 63 - 122 (1988)) I would be interested to hear comments from users on JCAMP or any other favourite format for generalised spectrum transfer. ----------------------------- Dr Alan Carrick, Acolyte Science Consultancy, Knutsford, WA16 6LZ, England Tel: (+44) 1925 75 4064 alan(a)acolyte.u-net.com 100572,753(a)CompuServe.com --(end)---------------------- ----- 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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getting chemistry on the Air - a course
by SD. Cox 26 Jan '96

26 Jan '96

Hi, can you please tell me how best I might publicise this course (part of SET96) Details are at http://www.bristol.ac.uk/Depts/ContEd/chemair Thanks, S Cox - on behalf of Sue Pringle ----- 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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Apologies for spate of postings
by h.rzepa＠ic.ac.uk 11 Jan '96

11 Jan '96

I recently asked for the "reply to" field to be changed from the person posting the message, to the list itself. This it turns out has resulted in a number of postings going to the list that should have been 1-to-1 messages. I apologize for the "noise" this has caused, and have asked that the reply to field revert to the individual rather than the list. This may take a day or so to implement, so meanwhile, could people please note the address they are replying to. Apologies again to those who quite rightly might have been irritated by apparently irelevant postings! Dr Henry Rzepa, Department of Chemistry, Imperial College, LONDON SW7 2AY; rzepa(a)ic.ac.uk via Eudora Pro 2.1.3; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. World-Wide Web URL: http://www.ch.ic.ac.uk/rzepa/ ----- 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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