September 1998 - 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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Combinatorial chemistry - materials
by Dr. Wendy A. Warr 25 Sep '98

25 Sep '98

Andy Whiting of UMIST has asked me to correct my message about the "first" meeting on combichem for materials science. I am happy to do so. I was well aware that there was a meeting at UMIST in Manchester on this subject on Septmeber 18. I wish it had not been the same week as ChemInt98 or I were have certainly registered for it. It looked an excellent programme. I did not intend to misuse the word "first". (And if anyone else thinks that they organised a meeting on this topic *before* Septmeber 18, please don't tell me!) What I meant to say was that the Knowledge Foundation meeting in January is the first, full blown, *commercial* multi-day conference with obligatory California location, "distinguished faculty" , expensive proceedings etc. etc. And no doubt other conference organising companies will soon jump on the band wagon. But in one sense, this conference *is* a first. The Manchester meeting was a one-day event, organised by UMIST Continuing Professional Development Department, at an exceptionally reasonable price, and I have no doubt that it was an intellectually stimulating event. Is anyone producing any sort of report out of it? I would have liked to do so. Wendy -- Dr Wendy A Warr Wendy Warr & 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. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Visit 2nd Elect. Conf. on Synthetic Organic Chemostry (ECSOC-2)
by Shu-Kun Lin 24 Sep '98

24 Sep '98

We invite you to view the ECSOC-2 posters at http://www.mdpi.org/ecsoc-2.htm and make comments by sending e-mail to ecsoc(a)listserv.arizona.edu When you make comments, be sure to put the poster number (such as A0001 for the first poster) as the subject title of your e-mail, so your comments can be categorized and archived under the poster number at the http://listserv.arizona.edu/lsv/www/ecsoc.html website. Send your comments from the e-mail address you registered at the ECSOC list. To register, and to subscribe to this ECSOC mailing list, send by e-mail a one-line message: Subscribe ecsoc first name last name to: listserv(a)listserv.arizona.edu We use this opportunity to thank the cosponsors: Novartis, Astra, ECS, CambridgeSoft, Novabiochem, Fluka, and Acros. The 2nd Elect. Conf. on Synthetic Organic Chemistry (ECSOC-2) has been activated since 1 September 1997. There is only five days before it is closed on 30 September 1997. If you have any other questions, please let us know. Shu-Kun Lin --------------------------------------------------------- Dr. Shu-Kun Lin Molecular Diversity Preservation International (MDPI) Saengergasse 25, CH-4054 Basel, Switzerland http://www.mdpi.org/ E-mail lin(a)mdpi.org Tel. +41 79 322 3379, Fax +41 61 302 8918 -------------------------------------------------------- chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Combinatorial chemistry - materials
by Dr. Wendy A. Warr 23 Sep '98

23 Sep '98

The following is an upcoming meeting in the field of combinatorial chemistry for materials science. It is the first major conference I have come across that specializes in this interesting new field. I hope that some of you will be interested. Combinatorial Approaches for New Materials Discovery: Polymers, Catalysis, Electronic Materials January 21-22, 1999, The Fairmont Hotel, San Jose, CA, USA Contact: Kim Takita, The Knowledge Foundation, 101 Merrimac Street, Boston, MA, USA Tel. 617 367 7979 Fax: 617 367 7912 E-mail kmtakita(a)knowledgefoundation.com WWW http://www.knowledgefoundation.com Apologies for duplicate postings. Wendy -- Dr Wendy A Warr Wendy Warr & 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. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Post chemint'98
by Rzepa, Henry 22 Sep '98

22 Sep '98

Since at least two attendees at this meeting have promised to write conference reports, I will not repeat their efforts here. We have urged all the speakers, exhibitors etc to post their lectures, posters, useful URLs etc etc to http://www.chemint.org/ (a page still being built). Currently it seems that the response to the conference was sufficiently warm and enthusiastic that we will very probably hold the second. The pencilled in dates are September 25-27, 1999; the venue not confirmed, but probably East coast USA. Finally, we are still contemplating possible speakers to invite! If you know of someone who is doing innovative and exciting work in putting chemistry on the Internet (please, not just building a comprehensive site of links to other sites), do let me or Steves Bachrach and Heller know. There might be some travel funds to assist attendance, and we hope to make the next meeting even bigger and better! 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/ If my digital email signature is invalid, download a new root at http://www.belsign.be/en/services/receive/install-ca.html chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Listadmin: Chemweb list CD-ROM.
by Rzepa, Henry 22 Sep '98

22 Sep '98

Dear all, Just to let you know that all the (slightly edited) postings to this forum have now been archived on a CD-ROM, where they have also been indexed. This product will appear by the end of 1998 as the proceedings of the ECHET98 electronic conference, and we hope will also include the complete XML-DEV archives and at least some of the chemweb.com virtual lectures. For what its worth, this entire collection was indexed using a splendid little tool from www.jobjects.com (as it happens, using a Macintosh!) which I can most strongly recommend to anyone producing a CD ROM, either simply for their own archival purposes, or for wider distribution. Currently, JObjects only indexes HTML files. The client is fast, and in our experience, the search results are very reliable, and support complex boolean searches. The CD-ROM above has about 11,000 files (not all HTML) which it coped with with no problem. 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/ If my digital email signature is invalid, download a new root at http://www.belsign.be/en/services/receive/install-ca.html chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Structure Drawing Applet as freeware
by Val Kulkov 22 Sep '98

22 Sep '98

To boost traffic in this mailing list (where's everyone? still on vacations?): ACD is giving away its structure drawing applet. The URL is http://www.acdlabs.com/products/java/sda/ Suggestions, comments, opinions, etc. are welcome! Here is an excerpt from the applet's home page: ACD Structure Drawing Applet (ACD/SDA) is a complete structure drawing, editing and visualization tool written in Java that can be incorporated into HTML documents. The applet can be used for composing substructure queries to databases and visualizing results. Unlike platform-dependent plugins or ActiveX controls, the applet runs in the same way on any hardware platform or operating system - the only requirement is a Java-compatible browser such as Netscape 2.0 or later or MS Internet Explorer 3.0 or later. ACD Structure Drawing Applet is fully compatible with JDK 1.0.2 specifications and does not cause problems even with the older versions of popular browsers such as Netscape Navigator 3.0. ACD Structure Drawing Applet is a chemically-intelligent applet. It understands valency and atom charges and sets them automatically as you draw your structure. If you make a mistake, the applet shows you where. The main applet's features include: - drawing of any atom from the periodic system with or without a charge - drawing of single, double and triple bonds - automatic accounting of hydrogen atoms according to heavy atom's valency and charge - moving and erasing selected parts of the structure or the whole structure - undo and redo function - drawing stereo bonds - zooming in and zooming out - predefined molecular templates - ability to add customized molecular templates - ability to attach template to an atom or a bond - floating window mode - exporting of the drawn structure into MDL/MOL file format ver. 8 - loading of structure into the applet from the server - loading of structure into the applet by a JavaScript function call - composing substructure queries based on a drawn structure - GIF export of the graphic contents - removable toolbars for maximum structure visualization area - clean function for normalizing your molecular drawing (server support required) Please note that the applet is free for a non-commercial use. Commercial users, please contact ACD. Cheers, -- ************************************************************** Val Kulkov val(a)acdlabs.com Phone +1(416)368-3435 Fax +1(416)368-5596 Visit ACD/ILab at http://www.acdlabs.com/ilab/ Advanced Chemistry Development, Inc. 133 Richmond St, Suite 605, Toronto, Ontario M5H 2L3, CANADA chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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New pages on Web site
by Dr. Wendy A. Warr 08 Sep '98

08 Sep '98

Please excuse duplicate postings. We have done a major update to our page on INFORMATION SOURCES IN BIOTECHNOLOGY, CHEMISTRY AND MOLECULAR DIVERSITY at http://www.warr.com/ombichem.html We are also running some product news from the ACS meeting in Boston and we have updated the 1998 and 1999 meetings pages. Please do visit. We welcome your comments. Wendy -- Dr Wendy A Warr Wendy Warr & 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. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Chime 2.0 beta now also available for Macintosh
by Rzepa, Henry 06 Sep '98

06 Sep '98

I notice today that the MDL site now has a pubilc version of the Chime 2 plugin for Macintosh as well as Windows computers; http://www.mdli.com/download/chime2.html Henry Rzepa. +44 171 594 5774 (Office) +44 171 594 5804 (Fax) http://www.ch.ic.ac.uk/rzepa/ chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Chemint98
by Rzepa, Henry 03 Sep '98

03 Sep '98

Just a reminder that the first international conference dedicated to developments in the application of the Internet to Chemistry is on September 12-15 in Irvine, California. A new poster session has just been added http://www.ijc.com/ci1/Pabstracts.html I also believe that Chemweb.Com (no connection with the name of this list!) and VEI will cover six of the lectures at the meeting "virtually" at http://chemweb.vei.co.uk/ 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. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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