On Oct 26, 2006, at 1:38 PM, Angel Herraez wrote:
> Timothy Driscoll  answered to Rajarshi Guha:
>
>>> * Since Jmol cannot show multiple structures, I need to convert  
>>> my SDF
>>> to PDB and concatenate it to the protein PDB. Is this correct?
>>>
>> as far as I know, yes - you will need to concatenate the structures
>> as independent MODEL (or perhaps FRAME) records.
>
> Wrong. Recent versions of Jmol CAN load multiple structures, so there
> is no need to concatenate files. Don't know if different formats will
> be trouble, but get a current prerelease version of Jmol and try.
>
and move them independently?  that's news to me.



>>> * The PHP page needs to write out a HTML page that contains the
>>> code for
>>> the applet. But ordinarily I cannot write a file to disk from my PHP
>>> page.
>
> I don't know any PHP, but at least javascript can write an html page
> on-the-fly
> without saving any temp files.
>
if you are using php anyway, to query your server-side database, then  
js is a needless complication IMO.  you could use php to write the  
coordinates as a js variable, then use js to write your applet tag -  
but why bother?  php works outright.



>>> * How do I specify that Jmol should load the structures - which are
>>> in a
>>> string. Do I need to write out a temporary file?
>>>
>> you should be able to use php to write the Jmol applet and provide
>> the structure(s) as an inline param; in other words, I don't think
>> you need a tmp file anywhere.  for example, if you assign your
>> coordinates to a php var, like this:
>
> I'm quite sure that Jmol has inline loading abilities, but I haven't
> used them. Check the documentation.
>
Jmol does, in fact; my example was actual working code.  but I could  
find no documentation about loadinline.


tim
-- 
Timothy Driscoll                                em: [EMAIL PROTECTED]
molvisions - see. grasp. learn.                 ph: 919-368-2667
<http://www.molvisions.com/>                    im: molvisions
usa:virginia:blacksburg                         tx: [EMAIL PROTECTED]




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