Reinhold,
Thanks. Yes, after I sent that I looked closer at the HTML and spotted the
.js file references.
JSpecView and read and export all these binary formats. The latest version
of Jmol will do that, too, since it incorporates JSpecView.
Basically what Robert and I have done is to integrate all your .js, .mol,
and .jdx information into one JCAMP-DX file.
If you have any problematic JCAMP-DX files, feel free to send them to me at
[email protected]. I can probably find what the problem is in short order.
The version of Jmol that does all this is at
http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip
To start a JSpecView window, just use Tools...JSpecView
>From that you can load and save JCAMP-DX files in a variety of encodings.
File...Log Errors... shows errors that occurred during file reading.
We're hoping to develop an interface that could allow relatively quick
authoring of correlation information, but we'll see. I think that's the
hard part.
Bob
2012/2/17 Reinhold Störmann <[email protected]>
> Am 16.02.2012 14:13, schrieb Robert Hanson:
> This format is usually NOT the one you get from an (13C NMR) instrument
> when you ask the software to output jcamp-dx!
> You'll probably get the x/y values in some kind of not human-readable
> binary format that can be read by some software that read jcamp-dx, but I
> haven't found a program that can interconvert these different jcamp-dx
> formats.
>
>
> ------------------------------------------------------------------------------
> Virtualization & Cloud Management Using Capacity Planning
> Cloud computing makes use of virtualization - but cloud computing
> also focuses on allowing computing to be delivered as a service.
> http://www.accelacomm.com/jaw/sfnl/114/51521223/
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--
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
------------------------------------------------------------------------------
Virtualization & Cloud Management Using Capacity Planning
Cloud computing makes use of virtualization - but cloud computing
also focuses on allowing computing to be delivered as a service.
http://www.accelacomm.com/jaw/sfnl/114/51521223/
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