Otis, if you pick up that latest Jmol version, the MOs will be fixed. On Wed, Apr 21, 2010 at 1:49 PM, Otis Rothenberger <osrot...@chemagic.com>wrote:
> Hello Francois- > > The communication between the JME structure drawing applet and Jmol is > now very easy. In addition, Jmol will render these structures as 3D. > Consequently, the 3D molfile of a 2D structure can be created. Two way > communication is possible between JME and Jmol, but JME will render > returned information as 2D. One nice feature of this is that structures > can be exchanged by email as Web address query strings. We have an > operational system at: > > http://chemagic.com/web_molecules/script_page_large.aspx > > Click Display Molecular Editor, followed by the draw link. > > JME is very light weight and very widely used. > > Best Regards, Otis > > On 4/21/2010 2:09 PM, Francois Nguyen wrote: > > 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 > > -- > Otis Rothenberger > chemagic.com > > > > > > ------------------------------------------------------------------------------ > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > -- Robert M. Hanson Professor of Chemistry St. Olaf College 1520 St. Olaf Ave. Northfield, MN 55057 http://www.stolaf.edu/people/hansonr phone: 507-786-3107 If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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