At 08:25 AM 8/27/96 +0100, Alan Arnold wrote:
>Greetings,
> for those kind souls with a few spare minutes and a
>chime-compatible browser, please check out
>
> http://www.ch.adfa.oz.au/ceramics/cscl.html
>
>save the html source and explain to me why the embedded
application/x-spt
>script (shamelessly transmogrified from MDL's chime scripting example)
>doesn't work as expected.
>
>This was to be prototype for some 'live' unit cells for some common
ceramic
>crystal structures. I had hoped that it would display a CsCl unit
cell
>showing both cell outlines and Cs-Cl connections as a visual aid, and
when
>the script buttons were pressed, cpk shpheres of the appropriate sizes
>would be displayed separately for Cl, Cs, ions then both together.
Doesn't
>seem to work with NS 3.0 on my Mac on NS 3.0 for Win95. The cell
outlines
>and 'bonds' are there (yay!!) but I don't seem to be able to get any
cpk
>display :-(
I am not sure what the problem you are seeing is. When I visit
your page the initial display is as I would expect from your embed tags
for the chime plugin displaying the structure, and for the 4 chime
buttons.
I even tested your page with the new SGI version of Chime and it looks
and works great.
Your main structure embed tag:
<<embed border=0 src="CsCl.mol" ALT="CsCl" align=abscenter width=400
bgcolor=#ffffff height=400 spiny=360 startspin=true name="CsCl"
display3D=wireframe palette=foreground >
The above is the embed that you are using, and everything you specify
here is being displayed 'correctly' when I view your page.
As far as the rasmol scripts (application/x-spt) embed tags which
invoke 4 Chime 'buttons'... These scripts also work as I would expect
them
to. Rasmol (and chime) do not have a 'default' atom radii for
'spacefill' models, if none is specified after the 'spacefill' command
than Van der Waals radii are used. The way you are specifying the
radius after the spacefill commands ('spacefill ###') is correct for
specifying a custom radius.
(an example of one of your Rasmol scripts, this one attached to your
Chime
button "Display wireframe"
"select all
spacefill off
wireframe on
# only
select (atomno>=1) and (atomno<<=8)
colour atoms green
spacefill 1.03
#
select (atomno=9)
colour atoms blue
spacefill 0.732
"
The above script (and your others) work exactly as I would expect.
I will mention that in your initial 'structure' embed tag you can
add a 'script="whatever rasmol script you want" ' argument to init
your structure display with whatever specific rasmol commands you
would like.
For example you could use script= and the above script (in quotes)
for your initializing rasmol script. You can also separate lines
with '|' or ';' instead of hard carriage returns.
(i.e. script="select all;spacefill off;wireframe on;
select (atomno>=1) and atomno<<=8);colour atoms green;spacefill 1.03;
select (atomno=9);colour atoms blue;spacefill 0.732"
>
>The weird cpk scaling factors are my attempt to force the Cl and Cs
spheres
>about the right size. I need a way of preventing the user from
displaying
>as cpk in chime with inappropriate default atom radii (Where are the
>default sphere sizes hidden in the chime plug-in?)
As I indicated above Rasmol and Chime both use Van der Waals radii
when
none is specified in the spacefill command. There is no default for
the
'spacefill' command.
>
>On a related note, can someone please point me in the direction of the
>specifications for MDL's .mol file format?
(following extract from mail message from David Hughes of MDL)
"CTfile Formats" is in Adobe Acrobat PDF format, suitable for reading
by
Adobe's Acrobat Reader (a free license for the Adobe Acrobat Reader can
be
obtained from Adobe's site.) You can download a copy of "CTfile
Formats"
from http://www.mdli.com/fileformats.html; this page also provides a
link
to Adobe's.
> Any suggestions for the most
>convenient file format to use as chime input for small inorganics of
this
>type - in particular, do any formats allow user-defined atom radii?
>
>Of course, if anyone has already done this before, I'd be every pleased
to
>be further enlightened...
>
>many thanks for listening.
Hope I have been of *some* help.
-Tim
>----
>Alan Arnold, School of Chemistry, University College (UNSW)
>Australian Defence Force Academy, CANBERRA ACT 2600 Australia
>voice:+61 6 268 8080 fax:+61 6 268 8002 e-mail: apa(a)adfa.oz.au
>WWW: http://apamac.ch.adfa.oz.au/apa/apa.html
>
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For your interest I enclose percentage browser stats for the last 6 months
here. There's all sorts of reasons why these numbers aren't scientific but
the apparent trends are interesting anyway. You may find these numbers
helpful when deciding what features to implement on your pages.
Browsers vers Jan Feb Mar Apr May Jun Jul Aug
MSIE 3.9 3.6 5.8 6.4 5.2 5.7 7.3 7.5
Mosaic 3.1 3.1 2.9 3.0 2.4 2.0 1.8 1.6
NetScape 0.9 1.6 0.8 0.9 0.5 0.6 0.4 0.3 0.2
NetScape 1 7.0 4.2 3.0 2.5 2.8 2.0 1.1 0.9
NetScape 1.1 30.3 25.8 21.7 18.3 14.9 12.6 9.0 7.8
NetScape 1.2 22.7 19.1 16.9 11.8 13.4 9.8 6.7 6.8
NetScape 2 26.8 37.2 44.0 51.3 50.4 53.3 53.4 52.7
NetScape 3 0 0 0.1 2.2 6.0 11.1 17.8 20.2
All other browsers are very small. About 2000 variants of browsers were
logged over the 8 months! Note the falling % for Moaic. Currently, NetScape
seems to register 89% of hits but some browsers which are not NetScape
register as such so 89% could be too high if I've missed some that show
this behaviour. Version 3 was 20% last month. Version 2 is showing signs
of dropping as version 3 picks up while the proportion of version 1 users
is dropping slowly. My current favourite, MS InterNet Explorer is steady
but less than 8%. Just over 80% of all hits come from [NetScape v2 or
better + MSIE] and given that MSIE is at least as capable as NetScape 2, so
we are fast approaching a point at which NetScape version 2 capabilities
can be assumed.
Platform
Macintosh 23.2 23.5 24.9 25.5 19.6 22.3 26.7 19.8
PC 64.3 62.3 61.9 59.9 63.2 62.6 59.4 66.7
Unix 11.9 12.9 12.1 12.4 15.6 13.6 12.6 12.1
The percentages of the 3 main platforms are holding fairly steady, but it
looks like Mac users take more holidays than PC users! (That doesn't sem to
have included me unfortunately.)
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
http://www.shef.ac.uk/~chem/staff/mjw/mark-winter.html
WebElements is the periodic table on the world-wide web:
http://www.shef.ac.uk/~chem/web-elements/
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To unsubscribe, send to listserver(a)ic.ac.uk the following message;
unsubscribe chemweb
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