Hi Mengjun,
This looks like a bug in relax on Windows with spaces in the directory
name! I thought I fixed this many, many years ago - maybe it has
resurfaced in a new place. Could you please submit a bug report with
this issue? Actually, before you do that, can you open qtgrace and
then open this file? If the error is in qtgrace, then the bug report
is not needed as there is nothing relax can do to fix it. You can
submit a bug using the link
https://gna.org/bugs/?func=additem&group=relax. You can also attach
the file there.
Note that you should not have your data files in the same directory as
relax. You should always keep your data files separate from the
software files. Mixing the files together is quite dangerous and
might result in program files or directories being overwritten by data
and results files. If you place your files into a directory on the
C:\ drive without any spaces, this problem will not appear.
Regards,
Edward
On 4 March 2014 18:38, <mengjun.xue@xxxxxxxxxxxxxxxxxxxx> wrote:
Hi Edward,
Thank you very much for your suggestion. As you suggested, I have started
grace.view user function under Relax Gui, and select qtgrace.exe file and
intensities.agr file, but a error occurs:
[Error] Can't stat file C:\\Program
[Error] Can't stat file Files\\relax-3.1.5\\grace\\intensities.agr
Please find the intensities.agr file (which include 3 residues for test)
in
the attachment. Thank you.
With best regards,
Mengjun Xue
Citat af Edward d'Auvergne <edward@xxxxxxxxxxxxx>:
Hi Mengjun,
If you are using the GUI, you don't need to change the qtgrace.exe
file. The grace.view user function window allows you to choose the
Grace executable file. Just click on the "Select the file" button and
select the qtgrace.exe file.
Regards,
Edward
On 3 March 2014 17:51, <mengjun.xue@xxxxxxxxxxxxxxxxxxxx> wrote:
Hi Troels and Martin,
Thank you so much for your responses. According to your suggestions,
the
raw
intensities data can be extracted from results.bz file or rx.save.bz2
file
now.
For the xmgrace installation, I have downloaded qtgrace at
http://sourceforge.net/projects/qtgrace/, and uppack it to
C:\Python27\qtgrace_windows_binary, in the
C:\Python27\qtgrace_windows_binary\bin folder, I found qtgrace.exe,but
I
did
not find xmgrace.exe, how to put both qtgrace.exe and xmgrace.exe in
the
same bin folder? xmgrace.exe should be downloaded from internet and
then
put
it in the same bin file? Thank you so much.
Best regards,
Mengjun
Quoting Troels Emtekær Linnet <tlinnet@xxxxxxxxxxxxx>:
Dear Mengjun.
For xmgrace installation, follow this:
http://wiki.nmr-relax.com/Installation_windows_Python_x86-32_Visual_Studio_Express_for_Windows_Desktop#xmgrace_-_for_the_plotting_results_of_NMR-relax
In short.
1 ) Download and install
2) Copy qtgrace.exe to xmgrace.exe in same folder
3) Add to your windows path, the path to where xmgrace.exe resides.
4) Test it with opening "cmd" and write "xmgrace". (You may need to
restart computer to update PATH)
Or if you have matplob lib, try this tutorial:
http://wiki.nmr-relax.com/Matplotlib_example
2014-03-03 16:11 GMT+01:00 <mengjun.xue@xxxxxxxxxxxxxxxxxxxx>:
Hi Edward,
I have tried to use relax_fit.py to extract R1 data, I have got 3
files:
rx.out file (R1 values), rx.save.bz2 file, and results.bz2 file, as
Xmgrace
is not available on my computer, I want to display the intensity
decay
curves in others software, so how to extract the raw data from the
output
(results.bz2) of relax_fit.py? It seems rx.save.bz2 file is same to
results.bz2 file. Thank you very much.
With best regards,
Mengjun Xue
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Re: Relaxation curve fitting