Subject: Re: [nmr_sparky] Using Sparky with Python
From: Josh Ward
Date: Oct 19, 2005

Previous: 12 Next: 14


I dont know anything about Felix, but it sounds like you have gotten a
rather bad deal. If you still have the original raw data from the
spectrometer, I would recommend processing with NMRPipe. It is free
software to academics (so no fewer licensing headaches), runs on several
platforms, and has a very active user community with a helpful mailing
list and Yahoo group. Hopefully you can avoid an enormously steep
learning curve. :)

http://spin.niddk.nih.gov/bax/software/NMRPipe/info.html

http://groups.yahoo.com/group/nmrpipe/

Good luck,

Josh


Ras Al Jdi Mai wrote:

Hello all!

I just found this site and am as green as I could be when it comes to
sparky. Ive been given a research project - NMR data of a protein -
and looks like were gonna be using sparky. What Im looking to do is
convert some of the matrix files to ucsf format with the
matrix2ucsf.exe. This data has gotten handed down to me because they
kinda screwed it up and nobody has the time to devote to fixing it
that it needs. The problem Im trying to fix is that some dolt put in
the wrong axis atoms when they used Felix to make the matrix files.
It looks as though I can fix this if I can get them in ucsf format.
My professor is trying to get them rerun through Felix but licensing
redtape and email tag playing seems to be holding things up at the
moment...

Im thinking I can do all this with python, but when I turn on sparky
it says its running without python (and yes, I clicked the .exe icon
thats supposed run with python on). Python is on the c drive and it
seems to work just fine on it own. I can get to the python prompt
both through its icon and from the dos prompt but even if I open all
this before I start sparky, I still get the same message - oh yeah,
and once the message says not running python - the window dies, you
cant type anything in...

I even tried moving the Python file around, thinking sparky couldnt
find it, but this didnt seem to help either. Any ideas?

I have a weird feeling its something really obvious Im just not
seeing...

Thanks for any and all light you can shed on this, its driving me
crazy!!! -R







Yahoo! Groups Links











--
Josh Ward
Graduate Research Assistant
Purdue University
Department of Medicinal Chemistry and Molecular Pharamacology
Lily Hall of Life Sciences
Phone: (765) 494-2191