chime script problem
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 :-( 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?) On a related note, can someone please point me in the direction of the specifications for MDL's .mol file format? 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. ---- 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@adfa.oz.au WWW: http://apamac.ch.adfa.oz.au/apa/apa.html ----- chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.ch.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to listserver@ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa@ic.ac.uk)
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