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Mateusz Urbanczyk
10/18/19
Running MddNMR on macOS Catalina
Dear MddNMR users! Some of you may stumbled upon problems with running MddNMR on the newest macOS
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Running MddNMR on macOS Catalina
Dear MddNMR users! Some of you may stumbled upon problems with running MddNMR on the newest macOS
10/18/19
Arun Gupta
,
Ewen Lescop
2
5/24/19
qMDD GUI Initialization Issue
Dear Arun, I also had some trouble to launch qMDD recently on OSX with Anaconda2. The error message
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qMDD GUI Initialization Issue
Dear Arun, I also had some trouble to launch qMDD recently on OSX with Anaconda2. The error message
5/24/19
Krzysztof Kazimierczuk
10/3/18
TReNDS available for download
Dear mddnmr users, We announce new software for reaction monitoring, based on CS module from mddnmr!
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TReNDS available for download
Dear mddnmr users, We announce new software for reaction monitoring, based on CS module from mddnmr!
10/3/18
Krzysztof Kazimierczuk
10/3/18
New version of mddnmr
Dear mddnmr users, The new version of mddnmr is available for download under http://mddnmr.spektrino.
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New version of mddnmr
Dear mddnmr users, The new version of mddnmr is available for download under http://mddnmr.spektrino.
10/3/18
Ashish Kawale
,
Krzysztof Kazimierczuk
2
7/27/18
Need help with data processing
Hi, I might be wrong, but I think, that you should use both NI and NUS_POINTS equal to 712... the
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Need help with data processing
Hi, I might be wrong, but I think, that you should use both NI and NUS_POINTS equal to 712... the
7/27/18
Guillaume LAURENT
,
Vladislav Orekhov
3
2/14/18
Point spread function and back to Topspin
Dear Prof. Orekhov, Thank you, your solution is working fine for the PSF. On the same principle, to
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Point spread function and back to Topspin
Dear Prof. Orekhov, Thank you, your solution is working fine for the PSF. On the same principle, to
2/14/18
Krzysztof Kazimierczuk
2/14/18
comparison script update
Dear Mddnmr Users! We updated today the scripts in section "Comparison of different NUS
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comparison script update
Dear Mddnmr Users! We updated today the scripts in section "Comparison of different NUS
2/14/18
Vladislav Orekhov
1/31/18
upgrade to new mddnmr version 2.6
Dear MddNMR users, We are pleased to announce new mddnmr 2.6. The main novelty is the introduction of
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upgrade to new mddnmr version 2.6
Dear MddNMR users, We are pleased to announce new mddnmr 2.6. The main novelty is the introduction of
1/31/18
Krzysztof Kazimierczuk
2
1/11/18
processing QF dimensions
W dniu czwartek, 11 stycznia 2018 14:49:49 UTC+1 użytkownik Krzysztof Kazimierczuk napisał: Dear All,
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processing QF dimensions
W dniu czwartek, 11 stycznia 2018 14:49:49 UTC+1 użytkownik Krzysztof Kazimierczuk napisał: Dear All,
1/11/18
Krzysztof Kazimierczuk
11/28/17
new mddnmr - updated qMDD etc.
Dear All, We updated mddnmr - download strongly recommended. News: 1. Bug fixes 2. Updated GUI: -
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new mddnmr - updated qMDD etc.
Dear All, We updated mddnmr - download strongly recommended. News: 1. Bug fixes 2. Updated GUI: -
11/28/17
Troels Schwarz-Linnet
10/19/17
Anyone has Palmers program Modelfree4?
Hi NMR wizards. This might not be the right place to ask, but I hope someone can help. I am looking
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Anyone has Palmers program Modelfree4?
Hi NMR wizards. This might not be the right place to ask, but I hope someone can help. I am looking
10/19/17
Mark
, …
Vladislav Orekhov
5
10/17/17
NMRBox qMDD
Hi Mark, we traced the problem to scripts proc.sh and recFT.com, which are found both in local
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NMRBox qMDD
Hi Mark, we traced the problem to scripts proc.sh and recFT.com, which are found both in local
10/17/17
Youlin Xia
,
Krzysztof Kazimierczuk
2
10/17/17
4D HMQC-NOESY-HMQC processing
Hello, Most probably you have the algorithm set to IRLS. This is not implemented for 4D CS (we have
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4D HMQC-NOESY-HMQC processing
Hello, Most probably you have the algorithm set to IRLS. This is not implemented for 4D CS (we have
10/17/17
Mark
,
Vladislav Orekhov
3
10/13/17
Processing XWinNMR data
Dear Vladislav, Thanks for your reply. I had tried setting up a .proc directory with files fidSP.com,
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Processing XWinNMR data
Dear Vladislav, Thanks for your reply. I had tried setting up a .proc directory with files fidSP.com,
10/13/17
Maxim Mayzel
, …
dahan
9
7/24/17
qMDD
Hi Maxim, Could you please tell me how to install mddnmr with some details. I downloaded and
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qMDD
Hi Maxim, Could you please tell me how to install mddnmr with some details. I downloaded and
7/24/17
Ewen Lescop
7/15/17
Processing of 2D spectrum collected in QF mode
Dear all, I'm trying to process 2D spectra collected in QF mode on Bruker instruments such as
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Processing of 2D spectrum collected in QF mode
Dear all, I'm trying to process 2D spectra collected in QF mode on Bruker instruments such as
7/15/17
Borja Mateos López
2
7/5/17
Install qMDD GUI in Mac Sierra (10.12.5)
SOLVED!!! Following the recommendations of Maxim. the easisest way is to install Canopy (v1.7.4...
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Install qMDD GUI in Mac Sierra (10.12.5)
SOLVED!!! Following the recommendations of Maxim. the easisest way is to install Canopy (v1.7.4...
7/5/17
Krzysztof Kazimierczuk
6/22/17
New mddnmr - bug fixes
Dear mddnmr users, New version of mddnmr has been released: http://mddnmr.spektrino.com/download It
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New mddnmr - bug fixes
Dear mddnmr users, New version of mddnmr has been released: http://mddnmr.spektrino.com/download It
6/22/17
Vladislav Orekhov
,
dahan
4
4/29/17
Mddnmr 2.5 – out now!
Hi Han, usually, this means that the last command in the proc.sh, which is essentially nmrPipe
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Mddnmr 2.5 – out now!
Hi Han, usually, this means that the last command in the proc.sh, which is essentially nmrPipe
4/29/17
dahan
4/28/17
2D projection files missed
Dear All, When I processed 3D hncacb data with mddnmr2.5, I only got *ft file, the 2D projection
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2D projection files missed
Dear All, When I processed 3D hncacb data with mddnmr2.5, I only got *ft file, the 2D projection
4/28/17
addal...@gmail.com
,
Krzysztof Kazimierczuk
2
3/15/17
Change from .dat to .ft2
Hi, It is the same format (nmrpipe file), just different name. Rename it and everything should work:
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Change from .dat to .ft2
Hi, It is the same format (nmrpipe file), just different name. Rename it and everything should work:
3/15/17
Niels Karschin
,
Vladislav Orekhov
2
2/27/17
Q&A
Change processing directory
Hi Niels, we will check what can be done in qMDD GUI. Alternatively, as soon as you processed the
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GUI
Q&A
Change processing directory
Hi Niels, we will check what can be done in qMDD GUI. Alternatively, as soon as you processed the
2/27/17
ap
,
Vladislav Orekhov
2
2/24/17
mddnmr2.5 on a Quad-Core Intel Xeon
Hi Andrea, the currently distributed version of the program was for Mac OX 10.10 or later. It seems
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mddnmr2.5 on a Quad-Core Intel Xeon
Hi Andrea, the currently distributed version of the program was for Mac OX 10.10 or later. It seems
2/24/17
Mateusz Urbanczyk
2
2/15/17
Download problem for Safari
The problem is fixed now. In future please use this thread to report any download problem form the
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Download problem for Safari
The problem is fixed now. In future please use this thread to report any download problem form the
2/15/17
Bruno Vitorge
, …
Vladislav Orekhov
11
2/13/17
multi threads with IST algorithm
Dear MDDNMR users, We like to announce a set of examples designed for comparing performance of
unread,
CS
MDD
multi threads with IST algorithm
Dear MDDNMR users, We like to announce a set of examples designed for comparing performance of
2/13/17
Chunyu Wang
1/25/17
problem running MDD in El Capitan
Hi, I got the latest mddnmr. qMDD ran fine without MDD. With MDD or CS, I got the following error
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problem running MDD in El Capitan
Hi, I got the latest mddnmr. qMDD ran fine without MDD. With MDD or CS, I got the following error
1/25/17
bill wolf
,
Krzysztof Kazimierczuk
10
1/24/17
mdd and sss distributed computing result is worse than one host parallel
Dear mddnmr users, After days of testing I am not able to confirm the problem reported by Bill. CS
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mdd and sss distributed computing result is worse than one host parallel
Dear mddnmr users, After days of testing I am not able to confirm the problem reported by Bill. CS
1/24/17
Yizhi Sun
, …
Vladislav Orekhov
6
1/22/17
Co-processing 3D 15N NOESY-TROSY with 2D TROSY-HSQC as the reference
Hi Yizhi, you should set '1 2 3' for NOESYTROSY and '1 - 2' for TROSY By this you
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Co-processing 3D 15N NOESY-TROSY with 2D TROSY-HSQC as the reference
Hi Yizhi, you should set '1 2 3' for NOESYTROSY and '1 - 2' for TROSY By this you
1/22/17
Yizhi Sun
,
Krzysztof Kazimierczuk
5
12/22/16
Bad baseline when using CS_VE=y
Got it. Thanks a lot! Yizhi On Thursday, December 22, 2016 at 12:27:16 PM UTC-5, Krzysztof
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Bad baseline when using CS_VE=y
Got it. Thanks a lot! Yizhi On Thursday, December 22, 2016 at 12:27:16 PM UTC-5, Krzysztof
12/22/16
Samantha Lagaida
,
Vladislav Orekhov
4
7/13/16
mddnmr in macOS X El Capitan
Hi Samantha, error proj3D.tcl -in ft/test%03d.dat dyld: Library not loaded: /usr/local/nmr/lib/libtk8
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mddnmr in macOS X El Capitan
Hi Samantha, error proj3D.tcl -in ft/test%03d.dat dyld: Library not loaded: /usr/local/nmr/lib/libtk8
7/13/16