From: Paul P. <pau...@ac...> - 2012-04-03 21:14:37
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@Jeff, Jmol allows to control the display of specific parts of a model by an efficient query language inherited from Rasmol "Select hetero; do whatever; select protein; do whatever; ...". To my use in class, this is a real motivation for using this software compared to a "twiddling" application. In the web chemdoodle app specification, I came on this page : http://web.chemdoodle.com/tutorial/advanced/working-with-pdb-files At the bottom it explains how you can change the display of proteins from the default cartoon. It does not appear to be as easy as a select process. My understanding is that you can have access via javascript to core functionalities, but as Bob puts it, at the moment it involves a sensible amount of coding I have delved into the chemdoodle code for an hybrid Jmol/chemdoodle sketcher project. It gave me the impression of being very well written and thus quite easily hackable. From my perspective, the best solution given all the amount of webpages using Jmol (and still even Chime !) would be to be able to control the display on the 3D canvas through a scripting language allowing selections and more. Paul Le 3 avr. 2012 à 22:07, Jeff Hansen a écrit : > I'm not with you Bob. I checked the ChemDoodle demos (quite nice really) and I see the same kind of functionality as I see on many Jmol sites, radio buttons and such to control the appearance or behavior of a molecule. Are you saying you think this is easier to create using Jmol scripting than it would be using Javascript? I'm not sure I would agree with that. It seems it is easier mostly because of the Jmol.js javascript library that hides much of the complexity. Something similar could be done for the ChemDoodle approach I'm sure. Or am I just missing something? > > > *********************************************** > Jeff Hansen > Department of Chemistry and Biochemistry > DePauw University > 602 S. College Ave. > Greencastle, IN 46135 > jh...@de... > *********************************************** > > > On Apr 3, 2012, at 3:46 PM, Robert Hanson wrote: > >> I think this question got lost in the lower reaches of my response. It's fine if the answer is, "You can't do that, at least not yet." >> >> My point is that the power of Jmol isn't the twiddle factor; it's the scriptability (by people who are chemists, not JavaScript or Java experts). I don't see any reason why one couldn't add a higher-level scripting capability to ChemDoodle. Is the plan really to leave it at the JavaScript level I see on those ChemDoodle web components pages? >> >> Bob >> |