June 1996 - chemweb - imperial.ac.uk

Molecule Editor in Java
by Denis M. Bayada 18 Feb '99

18 Feb '99

Dear all, I have just finished writing a molecule editor in JAVA. If anyone is interested, it is available at : http://www.chem.leeds.ac.uk/ICAMS/people/denis/moledit.html You may freely download the Java source code and modify it. Any comments are indeed welcome. Thank you Denis --------------------------------------------------------------------- Denis M. Bayada e-mail: denis(a)mi.leeds.ac.uk ICAMS voice: (44) (0)113 233 65 95 School of Chemistry fax: (44) (0)113 233 65 63 University of Leeds http://www.chem.leeds.ac.uk/ICAMS/people/denis Leeds LS2 9JT ENGLAND ... but as I proceeded in my labour, it became every day more horrible and irksome to me. Sometimes I could not prevail on myself to enter my laboratory for several days, and at other times I toiled day and night in order to complete my work. It was, indeed, a filthy process in which I was engaged. Frankenstein (Mary Shelley) --------------------------------------------------------------------- ----- 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: Postscript to Gif
by Ken Gruber 27 Jun '96

27 Jun '96

The conversion utility that I use is called Hikaak, developed by Inset Systems. The program I have is shareware and I think you can download a copy of it from their website. Additionally, if you need to create chemical structures in GIF format you can download a freeware copy of ChemWeb at http://www.softshell.com. Ken Gruber ken(a)softshell.com At 07:26 PM 6/25/96 +0100, you wrote: >On Tue, 25 Jun 1996, G.P.Moss wrote: > >> I have a colleague with a number of graphics files from work he did >> several years ago which are in postscript (NOT EPS). I need to convert >> them for use on the Web into Gif files. Does anyone know freeware or >> similar which I could use for this process - either directly or via >> some other common format such as PICT or TIF. >> >> Gerry Moss >> ___________________________________________________________________ >> >> Dr GP Moss Telephone: +44 171 775 3262 >> Department of Chemistry >> Queen Mary & Westfield College Facsimile: +44 181 981 8745 >> Mile End Road >> London E1 4NS, United Kingdom E-mail: g.p.moss(a)qmw.ac.uk >> >> World Wide Web server: http://www.qmw.ac.uk/~ugca000/chemistry.html >> IUPAC data base http://www.qmw.ac.uk/~ugca000/iupac.html > >Hi Gerry, > >I've copied in the list since this one crops up every few months, or so. > >You don't say what platform, but if it's a flavour of UNIX then >may I suggest GhostScript? > >On our Linux systems this is invoked with gs. gs -h gives cursory help > >Trying to read a Postscript file with xv automatically invokes gs on our >systems; you may find the same. > >xv spawns the command string > > gs -sDEVICE=ppmraw -r72 -q -dNOPAUSE -sOutputFile=/tmp/xvpg > >You should be able to set something like this up as a set of batch >commands in a little script. Email me privately if you need to know more. > > >Hope this helps. > > >Best Regards, > >Alan Mills at Venus Internet Ltd, 24 Denmark Street, London WC2H 8NJ, UK > email:alan@venus.co.uk web:http://www.venus.co.uk > Tel: +44 (0)171 240 5858 Fax: +44 (0)171 240 5859 > Providing Web and Internet services and solutions > >----- >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) > > > > ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Ken Gruber, WebMaster SoftShell International Developers of Software for Chemists Personal e-mail: ken(a)softshell.com SoftShell Online URL: http://www.softshell.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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Scripting Chime
by Rzepa, Henry 27 Jun '96

27 Jun '96

Those of you who wish finer control over a molecular display than possible by default colouring etc, take a look at our latest motm display http://www.ch.ic.ac.uk/motm/porph.html Here, we colourise individual atoms, etc, by using the Chime script command. 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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Chime new version
by M.Winter＠Sheffield.ac.uk 27 Jun '96

27 Jun '96

Colleagues might like to know that a new version of the Chime plug in is available. See http://www.mdli.com/chemscape/chime/chime.html and http://www.mdli.com/chemscape/index.html <QUOTE> The ChemscapeTM Product Line provides two powerful capabilities: rendering of 2D and 3D chemical and biological structures within a Web page or table (via our Chime plug-in) and a high performance, client-server structure search system which provides full ISIS structure and text search capabilities within a Web browser (via Chemscape Chime Pro and Chemscape Server.) </QUOTE> Dr Mark J Winter (Deputy Head of Department, Director of Studies) Department of Chemistry, The University, Sheffield S3 7HF, England tel: +44 (0)114 282 4498 fax: +44 (0)114 273 8673 e-m: M.Winter(a)Sheffield.ac.uk web: http://www.shef.ac.uk/~chem/staff/mjw/mark-winter.html CU-SeeMe: mac043078.shef.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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Postscript to Gif
by G.P.Moss 25 Jun '96

25 Jun '96

I have a colleague with a number of graphics files from work he did several years ago which are in postscript (NOT EPS). I need to convert them for use on the Web into Gif files. Does anyone know freeware or similar which I could use for this process - either directly or via some other common format such as PICT or TIF. Gerry Moss ___________________________________________________________________ Dr GP Moss Telephone: +44 171 775 3262 Department of Chemistry Queen Mary & Westfield College Facsimile: +44 181 981 8745 Mile End Road London E1 4NS, United Kingdom E-mail: g.p.moss(a)qmw.ac.uk World Wide Web server: http://www.qmw.ac.uk/~ugca000/chemistry.html IUPAC data base http://www.qmw.ac.uk/~ugca000/iupac.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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Beta testers for Chemistry Java applications
by Nick Lynch 21 Jun '96

21 Jun '96

Dear Netters, Do you have experience of Java based applications and of molecular rendering/visualisation software? If you would like to take part in a forthcoming round of beta testing for a Java based product we would like to hear from you. The testing will begin quite soon so please reply by 26 June. In your reply please detail your experience of Java and of chemistry related software. If you have a chemistry program which you think should be commercially published please e-mail me with the details. I will be happy to advise you. Thank you for your co-operation 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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ISIS/Draw for academic sites
by DAVIDH＠mdli.com 20 Jun '96

20 Jun '96

[This message is going to CHMINF-L and CHEMWEB; please excuse any duplicate messages.] Concerning the free licenses offered for ISIS/Draw 2.0 for academic use and personal use at home... I've received a number of inquiries from academic sites, asking if it would be acceptable for them to place the installers and help files for our chemical drawing package, ISIS/Draw 2.0, on their own servers so that their students and faculty members wouldn't have to individually download from our site (or the mirror sites). Given the interest in this approach, I thought I'd provide a general answer. "Yes. Please do." The installers for ISIS/Draw 2.0 require each person installing ISIS/Draw to accept or reject the license agreement (which limits use to academic use or personal use at home, and restricts copying of the software to other individuals). So we feel comfortable in having schools and universities place the installer files (and the help files) up on their servers. The next question has been: "how do we do this, and what does it cost?" It doesn't cost anything. All you need to do is decide if you want the Windows or Macintosh version (or both!) and download the files to your server. You can either provide the files through a file service, or you can put them up on your own intranet. To get to our download site, go to http://www.mdli.com/download.html. If you have any difficulties in downloading the files, we do list some alternative sites to try. (By the way, if you know of a list server that may be interested in this information, please pass it on!) Thanks for the interest. It has been gratifying to see it. Regards, -David Hughes ----------------------------------------------------------------- David Hughes Group Manager, Core Products, ISIS Business Unit MDL Information Systems, Inc. phone: (510) 357-2222, x.1432 14600 Catalina Street fax: (510) 352-2870 San Leandro, CA 94577 email: davidh(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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Radicals
by Paul Deards 20 Jun '96

20 Jun '96

Does anyone know a way of getting a radical dot symbol into HTML - at the moment I'm stuck with using the degree symbol (ie °). I'm also having problems with equation arrows, is ---> really the best HTML can cope with? I guess this just shows how non-ideal the current version of HTML is for scientists (I know HTML3 is better, but many browsers still aren't compatible). Ironic, really, given the Web's origins! Paul Deards Internet Publisher Chemistry and Industry 0171-2353681 x233 pauld(a)chemind.demon.co.uk http://ci.mond.org/ ----- 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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Webmasters II
by jmg11＠cam.ac.uk 18 Jun '96

18 Jun '96

The second meeting of chemistry webmasters is on Monday June 24th. All welcome! There is no registration fee (but please e-mail Becky Allen at the RSC allenb(a)rsc.org to let us know that you are coming). An opportunity to tell other webmasters about your website, to discuss technical and administrative issues and to meet other chemistry webmasters. More details on http://www.ch.cam.ac.uk/CLIC/w2.html Final Programme: Webmasters II Perspectives on Chemistry and the WWW Royal Society of Chemistry Cambridge University Chemical Laboratory 10:30am - 4:00 pm; Monday June 24th 10:30 Arrival and Registration 11:00 Welcome (Professor David King FRS, Head of the Department of Chemistry) Publisher's Perspective (Dr Mike Hannant, RSC) Webmaster's Perspective (Dr Jonathan Goodman, Cambridge University) 12:15 Poster Sessions Session A: My Chemistry Website Session B: Teaching Applications / Research Results. 2:00 Workshop: HTML for Chemists 3:00 Librarian's Perspective (Dr Paul Ayris, Head of IT Services, Cambridge University Library) Future Directions (Dr Henry Rzepa, Imperial College) 4:00 Close ------------------------------------------------------------------ Dr J M Goodman jmg11(a)cam.ac.uk Tel:01223 336434 FAX:01223 336362 http://www.ch.cam.ac.uk/CUCL/staff/jmg.html Sec:01223 336342 Department of Chemistry, Lensfield Road, Cambridge, CB2 1EW ----- 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: Radicals
by Patrick van der Valk 17 Jun '96

17 Jun '96

Hi Paul, >Does anyone know a way of getting a radical dot symbol into HTML - at the >moment I'm stuck with using the degree symbol (ie °). I'm also having >problems with equation arrows, is ---> really the best HTML can cope with? > Try · >I guess this just shows how non-ideal the current version of HTML is for >scientists (I know HTML3 is better, but many browsers still aren't >compatible). Ironic, really, given the Web's origins! HTML 3 does not exist anymore. The latest standard is now HTML 3.2 (a.k.a Wilbur). You can find more about it at: http://www.w3.org/pub/WWW/MarkUp/Wilbur/ Regards, Patrick van der Valk Director +----------------------------+ | BetaCyte | | | | Complete Internet Service | | for the Chemical Community | | 0-------------------------------0 +--------------| Visit our Virtual Office | | where the coffee is still hot | | | | http://www.betacyte.pair.com | 0-------------------------------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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