June 1997 - 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)

2 1

WANTED: Info on Chemists Use of the Internet
by Jeremy A Evans 30 Jun '97

30 Jun '97

You are invited to contribute towards a study of the use of the Internet made by Chemists. This aims to identify the extent that chemists are using the Internet, and also what types of information they are obtaining, and from which sources. It also aims to identify gaps in the existing internet sources available. The information will be used as part of my MSc Dissertation, entitled "The Information use of the Internet made by Chemists." There is an online questionnaire at http://www.shef.ac.uk/uni/academic/I-M/is/students/intro.html I would be grateful if you could spend a few minutes to complete this questionnaire. Please also pass the URL on to your colleagues, and encourage them to complete the questionnaire. Thank you for your help Jeremy A Evans MSc Information Management Department of Information Studies University of Sheffield UK Email: LIP96JAE(a)Sheffield.ac.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)

1 0

Molecule of the Month
by Paul May 30 Jun '97

30 Jun '97

Hi, July's Molecule of the Month is Vancomycin, an antibiotic that can be used to kill resistant bacteria. The page has been written by Alan Bunch and Anthony Baines from the Research School of Biosciences at the University of Kent. Both Chime and non-Chime versions are available. Since the Chime version uses push buttons to display the molecular structure in various formats, it may not work properly on all browsers - although Netscape 3 is ok. The direct link is: http://biont.ukc.ac.uk/bio/teaching/motm/asp/intro.asp and it's also available from the MOTM page: http://www.bris.ac.uk/Depts/Chemistry/MOTM/motm.htm 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)

1 0

Post Doctoral Position
by Dr. Derek M. Bloor 30 Jun '97

30 Jun '97

------------------------------------------------------------------------ POST DOCTORAL RESEARCH POSITION ---------------------------------------------------------------------- THE FORMULATION OF MULTIPLE PHASE MATERIALS Kinetic and Thermodynamic Activities We have a post doctoral assistantship available for 1 year from 1st October 1997 (negotiable) on the above project. The project will examine the potential of developments in time-resolved X-ray/CD measurements with stopped-flow fast mixing cells, and ion-selective electrodes, for understanding the complex phase behaviour and time-dependent changes in multi-phase formulations comprised of crystals, mesophases and liquids. The research has potential applications to a wide range of speciality healthcare and general household products. Success will give methods for improved product performance and more efficient product formulation/development, leading to a reduction in the time required to market new products - a key requirement in the global economy. The position will be based at UMIST in Manchester with time also spent at Salford University and the CLRC Daresbury Lab. Please apply in writing or e-mail to myself or to Prof. Gordon Tiddy UMIST Dept Chemical Engineering PO Box 88 Manchester M60 1QD -------------------------------------------------- Dr. Derek M. Bloor University of Salford Chemical Sciences Science Research Institute Salford M5 4WT UK Tel: 0161 745 5192 Fax: 0161 745 5111 -------------------------------------------------- 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)

1 0

Software:Equation Editor for MSWD(Mac)
by brian＠bert.chem.wsu.edu 26 Jun '97

26 Jun '97

Can anyone give me names (or testimonials if you have them) of equation editors that can be used with MicrosoftWord for Macs? I know MSWD come with an eqn. editor, but since it's object based, it's difficult to globally manipulate equations (change all V's to U's, or double the size of all integral symbols). I'm looking for something that functionally behaves like Endnote does for references. Perhaps an equation file that is searchable and manipulatable that can later be "re-plugged" back in to Word. The various species of TEX and ROFF were great at this because they were essentially a markup language. Typing and correcting permutations of my potential functions over and over is getting to be a drag. -Brian -- ============================================================================= | .---------.| Brian W. Beck | E-mail Addresses: | |/\ | || Biochem/Biophysics | brian(a)bert.chem.wsu.edu | || \\ WSU || Washington St. Univ| brian_beck(a)wsu.edu | |\ - *|| 639 Fulmer | URL http://elmo.chem.wsu.edu/~brian | | | || Pullman, WA, USA | VOICE (509) 335-4083 | | \___________|| 99164-4660 | FAX (509) 335-9688 | ============================================================================= 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)

1 0

nanotechnology modelling
by David Bradley Science Writer 26 Jun '97

26 Jun '97

I am putting togethe a paper on the use of molecular modelling for nanotechnology and have had no luck so far in tracking down UK/Euro researchers in this area. If anyone on the list is or knows anyone using the likes of AMOEBA/MASS/NanoCAD and whatever else to design nanodevices please get in touch as soon as possible Thanks in advance Dave Bradley ------------------------------------------------------- | David Bradley Science Writer | | Bradley(a)enterprise.net | | Tel/Fax +44 1223 440834 | | | | Elemental Discoveries: chemical happenings on the web | | http://homepages.enterprise.net/bradley/elem1.html | | | ------------------------------------------------------- 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)

1 0

Web Chemistry Course and Conferencing Tools
by Rzepa, Henry 19 Jun '97

19 Jun '97

As more people are thinking about developing structured courses of teaching and training Web-based materials in chemistry, so the need arises to think how such courses might operate in a multi-author, multi-course, many student and symmetric ( ie students need to submit files as well as read documents) environment. None of this is specific to chemistry, but it turns out there are many interesting tools emerging for this type of application. We have heard very good reports about WebCT http://homebrew1.cs.ubc.ca/webct/ although there are other (perhaps more expensive) products such as FirstClass etc. Does anyone have any experiences of using such tools? One of my concerns is that we will all end up using different tools, and the global reach of the web will start "Balkanising" into lots of little local Intranets, all pretty much incompatible. 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)

2 2

Re: Web Chemistry Course and Conferencing Tools
by Paul Heelis 19 Jun '97

19 Jun '97

At 08:49 19/06/97 +0100, Rzepa, Henry wrote: >As more people are thinking about developing structured courses of >teaching and training Web-based materials in chemistry, so the need arises >to think how >such courses might operate in a multi-author, multi-course, many >student and symmetric ( ie students need to submit files as well as >read documents) environment. > >None of this is specific to chemistry, but it turns out there >are many interesting tools emerging for this type of application. >We have heard very good reports about WebCT >http://homebrew1.cs.ubc.ca/webct/ >although there are other (perhaps more expensive) products >such as FirstClass etc. > >Does anyone have any experiences of using such tools? > > We are evaluating Topclass from WBT systems in Ireland. Having just had a quick glance at the WebCT site it appears to offer a similar approach, but we have found it to be very bug ridden and unstable (hopefully WBT do not subscribe to this list!). However I would be grateful for information on any other systems that others have tried. Dr Paul Heelis Reader in Chemistry School of Science and Technology North East Wales Institute Mold Rd Wrexham Ll11 2AW UK Tel +44 1978 293372 fax +44 1978 290008 e-mail heelisp(a)newi.ac.uk editor(a)netsci.u-net.com Internet Journal of Science- Biological Chemistry http://www.netsci-journal.com First internet Conference on Photochemistry and Photobiology http://www.netsci-journal.com/97v3/ Infochem - chemist's database http://www.infochem.co.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)

1 0

Re: Web Chemistry Course and Conferencing Tools
by Myles Danson 19 Jun '97

19 Jun '97

At 08:49 19/06/97 +0100, you wrote: >As more people are thinking about developing structured courses of >teaching and training Web-based materials in chemistry, so the need arises >to think how >such courses might operate in a multi-author, multi-course, many >student and symmetric ( ie students need to submit files as well as >read documents) environment. > >None of this is specific to chemistry, but it turns out there >are many interesting tools emerging for this type of application. >We have heard very good reports about WebCT >http://homebrew1.cs.ubc.ca/webct/ >although there are other (perhaps more expensive) products >such as FirstClass etc. > >Does anyone have any experiences of using such tools? > Though I do not have such experience yet, I do know of two other similar commercial systems. These are: WBT/TopClass http://www.wbtsystems.com Web Course in a Box http://www.madduck.com I believe that these pages hold details of participating institutions. A related issue is that of Computer Assisted Assessment engines using the WWW, perhaps combined within such course management systems. The Birmingham Medical School MedWeb is a good example in my opinion as is the Clyde Virtual Assessment Engine. Both have low client requirements: http://medweb.bham.ac.uk/teaching.html http://cvu.strath.ac.uk/campus.html specific details are at: http://cvu.strath.ac.uk/ae Another interesting development on the CAA / web side is TML (tutorial mark up language) at Bristol: http://www.ilrt.bris.ac.uk/mru/netquest/tml/ Please post this to the list of you think it is of use. Myles Danson Teaching Support / IT Coordinator Chemistry Department Loughborough University Loughborough Leicestershire 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)

1 0

Announce: Chemistry Models in Virtual Reality
by Matt Becker 19 Jun '97

19 Jun '97

I would like to draw your attention to a breakthrough in chemistry modeling. There are exceptional 3D chemistry models that are currently produced through Virtual Reality Modeling Language (VRML). The site features a VRML search engine that contains many beautiful representations of molecular and membrane structure at: http://vrml.sgi.com Go To: Once the site has loaded, there will be an blank entry field at the top of the homepage that has a Dive In button next to it. Enter the word chemistry in the field and click on the Dive In button. This will load an index of the "VRML worlds" which depict chemistry models. It is necessary to download a VRML browser to view these models. It is a simple and free download from the same page. *Here are a few quotes from an article entitled "VRML, Chemistry and the Web- A New Reality" by Alan J. Robinson of the Molecular Modeling Group, Department of Physical and Theoretical Chemistry, University of Oxford, Oxford, UK. "This article is an attempt firstly to introduce the concept of VRML which brings 3-D virtual reality to the Internet, secondly to describe how straightforward it is to use it and thirdly how we are now applying it to our research in chemistry to analyse and report results." "But why should chemists (and other scientists) be interested in VRML? Already as chemists we are used to dealing with VR programs such as QUANTA (Ref. 12), Sybyl (Ref. 13) and RasMol (Ref. 9) that display chemical structures and most will agree that these programs are beneficial in understanding a molecule compared to a flat representation on paper." "When analysing complex data it is often only possible to rationalise it by visualising it in 3-D, however this is notoriously difficult to transfer to the flat page of a journal. VRML gives us a medium through which we can easily create 3-D representations of the data that others may down-load and explore. Furthermore, it is intended that future versions of VRML will be capable of both animation and motion physics (i.e. objects moving according to physical laws), so the development of properties through time may be traced, obviously an important concern for chemists." The full article can be located at: http://alcyone.pcl.ox.ac.uk/people/alan/VRML/Paper/vrml.html Please address any questions or comments to Matt Becker <matt(a)cybernautics.com>. Matt Becker Cybernautics, Inc. 415.289.1580 x128 matt(a)cybernautics.com 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)

1 0