Hi Angel.
Thanks for the info. I have your book by the way!
I am trying to make a web page with two applets: a jmol applet on one side and
a Symyx Jdraw applet on the other and have them transfer the data back and
forth.
Extractmodel gives a MOL but it's not a CT file molfile. So Symyx Jdraw applet
will not understand it.
fileContents will give me the CT file if that's what I set originally; but if
the data was set from an Xyz file, that's what I get back too, not a CT file.
So it looks like jmol cannot be used as a converter between the various data
formats.
If rotations and translations will never affect the coordinates, as I always
care about the whole structure, not a subset, I may be able to enforce starting
from a CT-style Molfile.
jmolGetPropertyAsString is simplest when in javascript:
function getMolStringFromJmol()
{
return jmolGetPropertyAsString("fileContents");
}
-Francois
-----Original Message-----
From: Angel Herráez [mailto:angel.herr...@uah.es]
Sent: Wednesday, April 21, 2010 1:19 AM
To: jmol-users@lists.sourceforge.net
Subject: Re: [Jmol-users] what is the reverse operation of jmolLoadInline?
Hello, Francois
> However I can´t find the way to get the data back from jmol as a
> molfile.
This was commented a couple of days ago. Only for MOL format, you can
use
getProperty extractModel (atom expression)
(see http://chemapps.stolaf.edu/jmol/docs/)
For any format, there's also
getProperty fileContents
> I found how to get the data that was set, but if it is
> rotated for example, the atom coordinates will have changed.
No. The coordinates do not change as a consequence of model rotation
and translation.
> I think it may be something like jmolGetPropertyAsString
There's probably also a way to do it with that, but the above two
ones are simpler.
------------------------------------------------------------------------------
_______________________________________________
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users
=======
Notice: This e-mail message, together with any attachments, contains
information of Symyx Technologies, Inc. or any of its affiliates or
subsidiaries that may be confidential, proprietary, copyrighted,
privileged and/or protected work product, and is meant solely for
the intended recipient. If you are not the intended recipient, and
have received this message in error, please contact the sender
immediately, permanently delete the original and any copies of this
email and any attachments thereto.
------------------------------------------------------------------------------
_______________________________________________
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users
