July 1997 - chemweb - imperial.ac.uk

Showing H-bonding using CHIME
by M Cole 22 Jul '97

22 Jul '97

Hi there, I am trying to generate an inorganic crystal structure (using CHIME via an XYZ file format) where the structure involves a fair degree of H-bonding which I want to illustrate (by toggling on and off). However when I choose the H-bonding option (using the mouse control), the H-bonding is not indicated. Does anyone have any idea what I might be doing wrong ? For example do I have to specify in the dataset the pairs of atoms that are involved in H-bonding ? My typical O-H H-bond distance is 1.7-1.8 Angstroms. Are there limits which H-bonding is only shown when using CHIME ? Thanks Mike Cole Chemistry Department Manchester Metropolitan University 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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Graphics converter
by Paul Weber 21 Jul '97

21 Jul '97

On the SGI you can also use the imgcopy function: imgcopy -f<format> <input file> <outputfile> e.g. imgcopy -fgif myfile.rgb myfile.gif

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re: Graphics converter
by thomas＠chem.uni-potsdam.de 21 Jul '97

21 Jul '97

hallo: The original source for xv is: http:///www.trilon.com/xv/ steffen

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Re: Graphics converter
by ryanmd＠mms.sbphrd.com 21 Jul '97

21 Jul '97

On Jul 21, 9:57am, Jonathan W. Steed wrote: > Subject: Graphics converter > Dear all, > > apologies for the *slightly* un-web-related topic but does anybody know of a > conversion utility which will turn a Silicon Graphics .RGB file (as in > captured from an IndyCam) into something Windows can read (ideally .GIF or > .JPG but I'll take any common PC format; WMF, BMP, CLP etc etc)? My excuse > for asking this here is I want to put the pictures on my web page! xview will do the job and it is freely available. I am not sure of the best site for you to pull it off of but if you do a search you will find it. -- M. Dominic Ryan (610)-270-6529 SmithKline Beecham Pharmaceuticals ryanmd(a)mms.sbphrd.com King of Prussia, PA 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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Graphics converter
by Jonathan W. Steed 21 Jul '97

21 Jul '97

Dear all, apologies for the *slightly* un-web-related topic but does anybody know of a conversion utility which will turn a Silicon Graphics .RGB file (as in captured from an IndyCam) into something Windows can read (ideally .GIF or .JPG but I'll take any common PC format; WMF, BMP, CLP etc etc)? My excuse for asking this here is I want to put the pictures on my web page! Many many thanks for all advice. Jon. Dr. Jonathan W. Steed Department of Chemistry, King's College London, Strand, London WC2R 2LS, UK. Tel: +44 (0)171 873 2117, Fax: +44 (0)171 873 2810 e-mail: jon.steed(a)kcl.ac.uk Web site: HTTP://CRAC3.CH.KCL.AC.UK/KCLCHEM/SUPRAMOL.HTM 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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atomic structure time line
by buescherl＠watertown.k12.wi.us 19 Jul '97

19 Jul '97

Dear chem web subscribers; I have recently put together a simple time line for my high school chem students. It deals with the development of the modern atomic theory. It is very brief and my intention was to show students that it took many scientists working in several related fields, many years to develop the theory. Your thoughts and suggestions would be greatly appreciated. The site is at http://www.watertown.k12.wi.us/teachers/buescher/atomtime.html I enjoy this list serve and have used several items with my students. Regards, Lee Buescher Watertown High School Watertown, Wisconsin 53098 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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MacMolecule2/PcMolecule2
by Paul May 17 Jul '97

17 Jul '97

Hi, You might be interested to know about another 3D molecular viewer that I've just come across. It's called MacMolecule2 (the Windows equivalent is PCMolecule2) and can be used as a helper application to open pdb and other format files. There is also a freeware version of these programs, known as MacMolecule2 lite and PCMolecule2 lite. They can be obtained from the University of Arizona at: <http://www.molvent.com> They have many features that I haven't seen in other some viewers (such as Rasmol & WebLab), such as including a sidebar which contains text about the molecule allowing a scripted tutorial as the student views the moelcule in different orientations. Regards, ------------------------------------------------------------------------- Dr Paul May, School of Chemistry, University of Bristol, UK tel: +44 (0)117 9287667, fax: +44 (0)117 9251295 <mailto:paul.may@bris.ac.uk> <http://www.bris.ac.uk/Depts/Chemistry/staff/pwm.htm> "Why don't you just leave me alone with my thought" Homer Simpson ------------------------------------------------------------------------- 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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Compatability testing for Chemical Web Browsers
by Rzepa, Henry 16 Jul '97

16 Jul '97

I have produced a small matrix of tests for various Web browsers and versions for some chemically relevant web pages. http://www.ch.ic.ac.uk/compat.html I am seeking further examples of pages which perhaps fail on one browser but work on another, or fail on one version but work on another. Do please send me good examples if you have them. I don't have any ActiveX examples, or non-Javascript examples, so please send those. Also, any dissenters for my claims are most welcome! Failures by the way should be reproducible. Plain old browser crashes which occur at random are too dependent on machine configurations and memory allocation to be really useful. Finally, I might note that in our hands IE 4 fixes a number of problems with Chime, Javascript and other features of IE3. 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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WebMasters 3 - access counting
by Mark Winter 11 Jul '97

11 Jul '97

Dear colleagues A number of issues were raised at the WebMasters 3 meeing yesterday, one of the less important of which is access counters. Many of you will have full analyses of your own log files but interesting snap shots of user profiles based upon hits on a single page can be quite informative. I've been playing with a few external services in the last month or so and the following are worth a look. Both free. There are current links on the framed WebElements home page [http://www.shef.ac.uk/~chem/web-elements/] 1 NedStat: http://www.nedstat.nl/ This is an interesting one because it gives you a break down of accesses by country/continent/hour/day/month Try: http://www.nedstat.nl/cgi-bin/viewstat?name=webelements to see what you get. The disadvantge is all the info is in Dutch but if, like me, you can't read a word, it's still pretty clear what's going on. 2 WebSide Story: http://www.hitbox.com/wc/world.html Interesting because it tells you unique accesses, reloads, and can be monitored in real time using a java contoller. Try: http://w12.hitbox.com/wc3/index.cgi?G25025119 to see what you get. If you create your own counter using the "science" category with this service, it will be located in the "high tech" area. With these two types of counter, if you are desparate to maximise hit rates, put the requisite HTML high on your page. Numbers are about 10-20% lower if contained towards the bottom of a longish page. ---- [PS - general applause for Becky Allen for all the hard work organising the meeting; the RSC who have backed the WebMasters meetings from a very early stage in WWW history; and to Karl Harrison for all the hard work involved locally at Oxford in hosting the 1997 meeting] 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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Over 750 WWW - Addresses of Chemical Companies!!
by Rolf Claessen 10 Jul '97

10 Jul '97

Over 750 WWW - Addresses of Chemical Companies!! http://www.chemie.de/~claessen/comp_en.htm Yours Rolf Claessen claessen(a)chemie.de 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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