qMDD

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Maxim Mayzel

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Jul 8, 2011, 5:29:02 AM7/8/11
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Dear mddnmr users,

qMDD is a Graphical User Interface for MDDNMR software written in
Python and uses PySide as a bindings for the Qt cross-platform
application and UI framework.

To use qMDD GUI you would need
Python version 2.6-2.7
QT libs http://qt.nokia.com/downloads/downloads#qt-lib
PySide http://developer.qt.nokia.com/wiki/Category:LanguageBindings::PySide::Downloads

Best regards,
Maxim Mayzel

Maxim Mayzel

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Jul 8, 2011, 5:29:45 AM7/8/11
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For Mac users

If you got "bus error" while trying to open nmrDraw from qMDD please
have a look at
http://tech.groups.yahoo.com/group/nmrpipe/msearch?query=bus+error&su

This is well known problem and you can try to
upgrade nmrPipe & X11/XQartz
or
downgrade nmrPipe. We do not have any problems with 2010.008.16.00
nmrDraw release.

Maxim
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Maxim Mayzel

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Jul 15, 2011, 5:01:48 AM7/15/11
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Dear mddnmr users,

Instead of fiddling around manual python/pyside/qt installation
(although it's not difficult) I would recommend you to install
Enthought Python Distribution http://www.enthought.com/ version 7.1.
it's free for academic use and includes all the required packages.

Best regards,
Maxim

On Jul 8, 11:29 am, Maxim Mayzel <maxim.may...@nmr.gu.se> wrote:
> For Mac users
>
> If you got "bus error" while trying to open nmrDraw from qMDD please
> have a look athttp://tech.groups.yahoo.com/group/nmrpipe/msearch?query=bus+error&su

zhihong

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Oct 10, 2012, 10:51:49 PM10/10/12
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Dear Maxim,
     I tried qMDD to process my 4D methyl-methyl NOESY acquired under xwinnmr 3.6 and failed. It seems qMDD only can process bruker  topspin format data, any way to overcome this problem? Thanks!
Best
Zhihong

Wolfgan...@bruker-biospin.de

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Oct 11, 2012, 4:55:10 AM10/11/12
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Dear Zhihong,
 
I'm afraid there is no difference in data format between xwinnmr and topspin.
 
with best regards
 
Wolfgang

Maxim Mayzel

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Oct 11, 2012, 1:15:22 PM10/11/12
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Dear Zhihong,

As you know qMDD is just a nice frontend for MDDNMR, it's main purpose is to retrive parameters from spectra and automatically create some scripts (proc.sh, fidSP.com, recFT.com).
So far we have no experience with XWINNMR, I simply don't know how to extract NUS parameters. The easiest solution would be to create a xwinnmr2topspin conversion script  which would create acqu*s files and nuslist in TopSpin format. I can help you with this but 1) I would need some test spectra; 2) unfortunately I'm terribly busy right now so it will take quite some time for me.

Best regards,
Maxim

четверг, 11 октября 2012 г., 4:51:49 UTC+2 пользователь zhihong написал:

zhihong

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Oct 11, 2012, 9:51:00 PM10/11/12
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Dear Maxim:
   Thanks for reply! Unfortunately. the spectra i've acquired is too big to send to you. I will try to use the master script and hope I can solve this problem. Just one more question, how did qMDD determine if spectra need "ser_shuffle"? Thanks!
Best
Zhihong

maham mashti

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Apr 10, 2014, 6:26:47 PM4/10/14
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Hi Zhihong

This is mostafa :) Awsome :)

dahan

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Jul 24, 2017, 5:29:21 PM7/24/17
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Hi Maxim,
    Could you please tell me how to install mddnmr with some details. I downloaded and installed Python 2.7 from enthought.com. How can mddnmr's installation can find the python from enthought.com.
Do you have any idea? Please let me know. 

Thank you very much,

Dahan
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