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RSS: Collections
by Rzepa, Henry 07 Jun '04

07 Jun '04

This represents an interesting collection of RSS feeds http://www.public.iastate.edu/~CYBERSTACKS/RSS.htm Curiously, its not itself available as an RSS feed (apparently). -- Henry Rzepa. +44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax) http://www.ch.ic.ac.uk/rzepa/ Dept. Chemistry, Imperial College London, SW7 2AZ, UK. (Voracious anti-spam filter in operation for received email. If expected reply not received, please phone/fax).

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Molecule of the Month - June
by Paul May 01 Jun '04

01 Jun '04

Hi, June's Molecule of the Month is the notorious 'date rape' drug Flunitrazepam (rohypnol). It was written by a pupil at the English language school, King's College in Madrid, Spain. Four interactive versions of the page are available at: http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm#june2004 Regards, ----------------------------------------------------------------------------- Dr Paul May, School of Chemistry, University of Bristol, UK tel: +44 (0)117 928-9927 fax: +44 (0)117 925-1295 <mailto:paul.may@bris.ac.uk> Mobile: 07811371539 Home URL: <http://www.bris.ac.uk/Depts/Chemistry/staff/pwm.htm> Molecule of the Month: <http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm "Ah, a chemist, eh? Do we get to blow something up, then?" League of Extraordinary Gentlemen ------------------------------------------------------------------------------

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ACS RSS Feed: http://pubs.acs.org/cen/nanofocus/xml/topstories.xml
by Rzepa, Henry 22 May '04

22 May '04

Ah, the nostalgia. It was about this time ten years ago that one stopped alerting the chemical community to "new" web sites, because there were too many. so I offer a new chemical RSS feed with the feeling that we are not quite there yet with this "metadata" medium, but perhaps it will not be too long? http://pubs.acs.org/cen/nanofocus/xml/topstories.xml -- Henry Rzepa. Imperial College, Chemistry Dept. +44 0778 626 8220 +44 020 7594 5804 (Fax)

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Molecule of the Month - May
by Paul May 30 Apr '04

30 Apr '04

Hi, May's Molecule of the Month is osmium tetroxide, which gained notoriety a couple of weeks ago in the Uk media as it was implicated as the possible chemical component in a terrorist 'dirty bomb'. The MOTM page shows that OsO4 has a good side too, in that it is used by chemists for a variety of useful applications. It has been written by Dr Mike Thompson of Uppingham School, Rutland, and is available in many different formats. http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm#may2004 Regards, ----------------------------------------------------------------------------- Dr Paul May, School of Chemistry, University of Bristol, UK tel: +44 (0)117 928-9927 fax: +44 (0)117 925-1295 <mailto:paul.may@bris.ac.uk> Mobile: 07811371539 Home URL: <http://www.bris.ac.uk/Depts/Chemistry/staff/pwm.htm> Molecule of the Month: <http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm> Bumper sticker: "Where are we going? And why are we in this hand-basket?" ------------------------------------------------------------------------------

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Element names and UniCode
by Mark Winter 19 Apr '04

19 Apr '04

Dear colleagues For those of you interested in such things there are suggestions that UniCode code points be allocated for the elements. See http://www.webelements.com/forums/viewtopic.php?t=478 Certainly some on this list will want to contribute? Regards -- Dr Mark J Winter 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/chemistry/staff/mjw/mark-winter.html WebElements is the periodic table on the world-wide web: http://www.webelements.com/ The Sheffield Chemdex is a listing of chemistry sites on the world-wide web: http://www.chemdex.org/

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Molecule of the Month - April
by Paul May 31 Mar '04

31 Mar '04

Hi, April's Molecule of the Month is Cantharidin, which is a beetle defense chemical that's also an alleged aphrodisiac. It has been written by Gerard Dupuis and Nicole berland, from the Lycee Faidherbe in Lille, France. http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm#apr2004 Regards, ----------------------------------------------------------------------------- Dr Paul May, School of Chemistry, University of Bristol, UK tel: +44 (0)117 928-9927 fax: +44 (0)117 925-1295 <mailto:paul.may@bris.ac.uk> Mobile: 07811371539 Home URL: <http://www.bris.ac.uk/Depts/Chemistry/staff/pwm.htm> Molecule of the Month: <http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm> Bumper sticker: "Where are we going? And why are we in this hand-basket?" ------------------------------------------------------------------------------

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CMLRSS: A Peer to Peer Chemical Information System
by Rzepa, Henry 11 Mar '04

11 Mar '04

As part of a session on "Research Collaboratories, Virtual laboratories and Grid Computing" at the forthcoming ACS meeting (http://oasys2.confex.com/acs/227nm/techprogram/ ) we are presenting on "Semantic Grid computing - the WorldWideMolecularMatrix" Part of this will focus on the theme of RSS which I posted about last year. We have now developed a chemical component to this, now christened CMLRSS, and it is the purpose of this email to invite people if they wish, to join in to this "virtual laboratory", and hence "participate" in the ACS session. The procedure is as follows a) For an introduction to the concept, see eg http://www.ch.ic.ac.uk/rzepa/cmlrss_distrib/ or http://wwmm.ch.cam.ac.uk/moin/CmlRss b)We have prepared a distribution kit available either from http://www.ch.ic.ac.uk/rzepa/cmlrss_distrib/ or from http://wwmm.ch.cam.ac.uk/moin/RssClient We emphasize that whilst we believe this to function correctly, it has not yet been comprehensively tested on all platforms, and some components are still at the "late alpha", or "early beta" stage. Needless to say, we welcome comments and reports of bugs! c) You can view the existing CMLRSS grid by installing either Jmol (a 3D molecule viewer) or JChempaint (a 2D editor) as provided, along with the CMLRSS plugin in the kit (these are Java programs so you will have to have Java installed). By running this, you will open around 8 existing RSS "Channels" and hence subscribe to chemical feeds from these sites. You can if you wish aggregate these feeds into one, then filter them down by (e.g. element). You will notice several themes in the existing channels, including an aggregation of the long running "Molecules of the Month" sites, several database sites (NMR, X-Ray, ChemStock) and the World-Wide Molecular Matrix. d) You are also welcome to follow the instructions in the above distribution to create your own CMLRSS channel (I might add that several of the sites mentioned above were our beta testers for this kit; it took only one or two days to get up and running). If you do so, please let us know so that we can add you to the list (one of the many "todo" items is to organise the addition of further channels in a better way). I should end with the observation that as far as we know, this is the furthest that the RSS concept has been pushed into a science field, and another step towards the "semantic web" espoused by Sir Tim Berners-Lee. We would of course love to hear about your experiences with this system. -- Henry Rzepa. +44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax) http://www.ch.ic.ac.uk/rzepa/ Dept. Chemistry, Imperial College London, SW7 2AZ, UK. (Voracious anti-spam filter in operation for received email. If expected reply not received, please phone/fax).

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VEGA On-line
by Giulio Vistoli 10 Mar '04

10 Mar '04

VEGA On-line (VEGAWE, http://galaxy.farma.unimi.it/vegawe) is a server-based service for all Internet users that want use the VEGA features without install it on their computer. VEGAWE can convert several file formats, add hydrogen atoms, assign atom types and atomic charges. It has got some interesting features: 1)It can be used with some Web server. At this time it was tested with Internet Information Service by Microsoft. 2)No script interpreter required. VEGA WE is a small application written in C allowing fast Web server responses with a low resource consumption. 3) No files can be directly uploaded to the server in order to prevent DoS attacks. 4)All user operations are logged and the logging level can be changed in order to obtain more exhaustive information. 5)The interface can be customized in easy way with an initialization scripts. 6)Support for PocketPC devices trough specific pages with low-detailed graphic and automatic detection for handled/desktop PC. 7)VEGA WE/On-line can be obtained free of charges contacting directly the Authors. Best regards Giulio Vistoli & Alessandro Pedretti _________________________ Giulio Vistoli Istituto di Chimica Farmaceutica e Tossicologica Viale Abruzzi, 42 I-20131 Milano Italia Tel. +39-02-50317545 Fax +39-02-50317565 giulio.vistoli(a)unimi.it http://www.ddl.unimi.it

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3D Printing of molecular models
by Rzepa, Henry 03 Mar '04

03 Mar '04

A colleague has pointed out the following site to me http://www.3dmoleculardesigns.com/ who do custom "3D" printing from molecular PDF format coordinates. I have seen these, and they are done in full colour (oxygen=red, blue etc etc) Certainly a fascinating novelty (if a bit fragile, and the size is only about 10 cm across). -- Henry Rzepa. +44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax) http://www.ch.ic.ac.uk/rzepa/ Dept. Chemistry, Imperial College London, SW7 2AZ, UK. (Voracious anti-spam filter in operation for received email. If expected reply not received, please phone/fax).

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Molecule of the Month - March
by Paul May 01 Mar '04

01 Mar '04

Hi, March's MOTM is EDTA, which is a novel molecule for complexing metal ions that can be found in a McDonald's Big Mac, and blue colored shampoos such as Aloe Vera or Revlon Aquamarine. The page has been written by Scott Sinex of Prince George's Community College, Largo, MD, USA. http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm#mar2004 Regards, ----------------------------------------------------------------------------- Dr Paul May, School of Chemistry, University of Bristol, UK tel: +44 (0)117 928-9927 fax: +44 (0)117 925-1295 <mailto:paul.may@bris.ac.uk> Mobile: 07811371539 Home URL: <http://www.bris.ac.uk/Depts/Chemistry/staff/pwm.htm> Molecule of the Month: <http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm> Bumper sticker: "Where are we going? And why are we in this hand-basket?" ------------------------------------------------------------------------------

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