Hi,
August's MOTM is Fluoxetine, which is the active ingredient in Prozac, the
World's most widely used antidepressant drug.
The pages have been written by Gemma Veitch, who is a student at
Imperial College London, and was one of the entries for last year's
ExemplarChem competition.
The first two pages require Chime to see the structures (otherwise you
just see a missing image marker), but the other pages with the chemical
info on are Chime free.
http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm#aug2003
Regards,
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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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List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)
Hello,
it is more a general question than a chemical one.
I have huge amounts of pdf files.
I often would like to add a note like a "post-it" and be able to retrieve
this later including this note.
Can you recommend a software which is able to do such things ?
OS: either Linux (preferred) or Windows
And another question: is there a fileformat preferable to pdf ?
Thank you
chemweb: A list for Chemical Applications of the Internet.
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List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)
Dear all,
with some delay (due to a rather interesting drug design course last week),
I am proud to announce the release v7 of Jmol.
Changes since v6
A much faster implementation of the rebonding algorithm is now used. VASP and
Gaussian 03 readers were added. Reading of Jaguar 4.2.77, ABINIT, and AcesII
files was fixed.
Many thanx to the users and the developers for noticing and fixing these
issues.
About Jmol
Jmol is a Java molecular viewer for three-dimensional chemical structures,
both molecular and condensed. Features include reading a variety of file
types and output from quantum chemistry programs. Multi-frame files can be
animated and normal modes displayed as calculated with quantum programs.
Jmol supports Chime and Rasmol scripts, and the applet can be addressed
with JavaScript. The application runs on J2SE 1.4 systems, but the applet runs
even on old Java 1.1 systems, such as the Netscape 4.5/4.7 browsers.
More information about the project can be found at the website, which features
examples of the applet and a few screenshots of the application:
http://jmol.sf.net/
Jmol is OpenSource and licensed with the GNU LGPL license.
The Future
Work is undergoing to hava Jmol support more file types, including output of
programs which is divided over several files. In addition, a true from-scratch
3D engine is being written that will allow for even more astoundishing
graphics including molecular surfaces.
kind regards,
Egon Willighagen
chemweb: A list for Chemical Applications of the Internet.
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List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)
Over the years, a large body of molecular data has been rendered within
Web pages using the popular Chime browser plugin.
Unfortunately, the "plugin" concept has become rather frayed; some
browsers have difficulty with Chime, others simply do not support it
(particularly those on eg Linux and other new generation operating
systems such as MacOS X).
If you visit http://jmol.sourceforge.net/scripting.html however, you will
note that another 3D molecule display program called JMol
has come on by leaps and bounds, due particularly to the efforts
of a number of recent enthusiastic contributors. Unlike Chime, JMol
is <<opensource>> and hence not limited to the generosity of
a single commercial company.
In particular, the molecular scripting/style language which has become known
as "Rasmol script" is increasingly well implemented in JMol, and many
of the effects hitherto limited purely to Chime can now be replicated.
It WILL require the Web page to be edited (the original design of the
plugin syntax was not robust, and hence was very much plugin specific).
One particularly exciting feature is that JMol is fully CML compliant,
which means that all molecules can be carried in this format rather than
older formats such as the Molfile (an illustration of the problems with the
latter is that each atom line is defined by a line break character, which
can vary or even break depending on the operating system). It
should be possible therefore for any web page designed to use JMol
to be FULLY XML compliant in all its data; e.g.
XHTML for description and prose
CML for molecular information
SVG for 2D diagrams
RSS for metadata.
(only eg Rasmol script remains to be XML-ified!)
--
Henry Rzepa. Imperial College, Chemistry Dept.
+44 0778 626 8220 +44 020 7594 5804 (Fax)
chemweb: A list for Chemical Applications of the Internet.
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