MDDNMR

186 views
Skip to first unread message

maham mashti

unread,
Apr 10, 2014, 11:18:57 AM4/10/14
to mdd...@googlegroups.com
I have been trying to use MDDNMR but I have  problems installing it. In my previous lab the magnet softwares were xwinnmr so they didnt have NUS built in. So we used a VDlist that had the info for with points were acquired (3u) and which points not recorded (1u). We used a Gui for it called mddgui (not the qmdd gui). But in my current lab the topspin has NUS pulses built in, so it gives us a nuslist, but the mddgui cant read it saying it cant read sparsebruker but I think it has an issue with the 1u 3u format which the nuslist doesnt have.
So I decided just to use qmdd, which I have done but at the end it just gives three lines to add to the .cshrc file wihch are

setenv MDD_NMR /home/mj1612/mddnmr2.0
           setenv MDD_NMRbin ${MDD_NMR}/binLinux64
           set path=( $path $MDD_NMRbin  ${MDD_NMR}/com  )


So I've done this but I cant figure out how to activate the GUI. Also my friend told me it only works on ubuntu and not redhat is that true??

thanks
mostafa

Maxim Mayzel

unread,
Apr 10, 2014, 12:40:11 PM4/10/14
to mdd...@googlegroups.com
Hi Mostafa,

Your friend is wrong, it works on the RedHat. 
First of all go through the manual http://pc8.nmr.gu.se/~mdd/Downloads/Manual_2.0_v4.pdf it describes MDDNMR and the GUI.
qMDD needs pyside and numpy packages to run. 

read this thread 
or that

Best regards,
Maxim

maham mashti

unread,
Apr 10, 2014, 6:15:53 PM4/10/14
to mdd...@googlegroups.com
Hi Maxim
Many thanks for your answer. Just a quick question. After I install EPD from this link "https://www.enthought.com/repo/epd/installers/", do I still need to install numpy? I thought numpy is a module for python? Do I still need to install python too? or the EPD package covers that (I still couldn't understand what does exactly the Enthought software do)?
Sorry if some of my questions sound very un-related.

thanks a lot
Mostafa

maham mashti

unread,
Apr 10, 2014, 6:32:13 PM4/10/14
to mdd...@googlegroups.com
I think I got the answer for that "https://groups.google.com/forum/#!topic/mddnmr/p4IbqegC72s"
Great  and thanks a lot. Just what did you mean by this part of your comment

"
you may also look at $MDD_NMR/GUI/qMDD.rc
change at least  MDDTHREADS to the actual number of cores you have "

Best regards

Mostafa
Reply all
Reply to author
Forward
0 new messages