Re: re-worded question

Kurt Wollenberg (kfw@lubrizol.com)
Thu, 11 Jul 1996 14:25:00 -0700

Jane Strouse wrote:
>
> At 02:15 PM 7/9/96, Mick Grzonka wrote:
> >
> >The point Peter brought up is more common then some people think. Here at the
> >software support line we have that question quite frequently. I would
> rephrase it as
> >follows (because that's the bottom line for most people):
> >
> >**
> >How can I get a UNIX generated plot from XWINPLOT into my
> > WINDOWS word processor?
>
> >**
> >
>
> For those of us with Aspect Stations, this isn't really exactly the
> question since Bruker has no intention of writing XWINPLOT for the Aspect
> Station. The question is really:
>
> How can I get a UNIX generated plot from XWINNMR into my
> WINDOWS word processor?
>
> Do we really have any choice other than postscript or hpgl without
> XWINPLOT? I have intended for sometime to see what I could find in XEDPLOT
> which does come with the Aspect Station, but apparently without
> documentation. Could anyone point me in the right direction?
>
> Jane
>
> Jane Strouse
> Dept. of Chemistry & Biochemistry
> UCLA
> Los Angeles, CA 90095-1569
> (310)-825-9841
> (310)-825-0393 FAX
> strousej@chem.ucla.edu

Jane

Before Xedplot, which is the plot module from Uxnmr/p, I used Uxnmr/p
and did all my plotting and annotation of plots with Uxnmr/p. Uxnmr/p or
xedplot allows you to write a file as a Framemaker file to disk. You can
then take the frame file and ftp it to a mac or pc that has framemake
software and then import the file into framemaker for full annotation. I
have been doing this for about 4 years now and it provides full
annotation flexability. With frame files, you can also cut structures
from software packages like chemdraw and paste them into you frame file
or you spectrum. With framemaker 4.0 or higher, you can even ungroup a
chemdraw structure and annotate it within frame. I also have an HP color
laserjet which allows you to take the frame file that was saved using
RGB under the ColorModel in xedplot and make very nice color plots. One
advantage of xedplot is that you can overlay two 2D plots, e.g. an HSQC
(contours in red) and HMBC (contours in black), and easily identify
one-bond and long-range cross-peaks as well as correlate one-bond
cross-peaks from an HSQC and long-range cross-peaks from an HMBC. You
could also do the same for other combinations of more than two 2D's. I
recently displayed three 2D's on the same spectrum with full annotation.
The spectra were an HSQC with one-bond cross-peaks, an HMBC with two-
and three-bond cross-peaks, and a 11-adequate spectrum that displays
only two-bond correlations. All three spectra were overlayed in xedplot
(using three different colors) and stored as a frame file (file.fm).
It was quite easy then to pick out one-, two-,and three-bond
cross-peaks. This comes in quite handy with working with complex
spectra and trying to explain your results to a synthetic chemist that
is not use to looking at this type of spectral representation. If you
have any questions just e-mail me.

Good Luck,
Kurt 

-- 
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Kurt Wollenberg              e-mail:kfw@lubrizol.com
Research Chemist             ph#:(216)943-1200 ext2026
NMR Spectroscopy             fax:(216)943-9022
Lubrizol Corporation
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