Hi Ravi,
If you want to get Relax to calculate the NOE, R1 and R2 values as well
for comparison, you can do that by exporting peak lists from Analysis in
Sparky format using Format Converter. One caveat, you need to reverse the
proton/nitrogen drop down boxes so that the file looks like the one below
(you'll see what I mean - nitrogen needs to be first). Also, make sure
you pick peak height, not volume.
Assignment w1 w2 Height
V1504N-V1504HN 127.465 7.041 8.73E+04
V1496N-V1496HN 120.579 8.691 8.02E+04
By the way, there's a really useful mailing list for relax, which is
archived here.
[log in to unmask]" target="_blank">http:[log in to unmask]
Maddy Strickland
---------------------------- Original Message ----------------------------
Subject: CCPNMR Digest - 19 Sep 2012 to 20 Sep 2012 (#2012-150)
From: "CCPNMR automatic digest system" <[log in to unmask]>
Date: Fri, September 21, 2012 12:16 am
To: [log in to unmask]
--------------------------------------------------------------------------
There are 3 messages totaling 293 lines in this issue.
Topics of the day:
1. relaxation analysis (3)
----------------------------------------------------------------------
Date: Thu, 20 Sep 2012 09:56:35 -0700
From: Ravi Pratap Barnwal <[log in to unmask]>
Subject: relaxation analysis
Hi,
I was doing relaxation analysis on few proteins. It seems, the
"relaxationanalysis" macro is very useful for the plotting and looking at
the relaxation patterns. I want to transfer these T1, T2 and nOe values as
text file sothat i can run relax/modelfree software for complete relaxation
analysis. Is there a way to transfer these T1/T2 and nOe values stored in
"resonances->measurement lists" as .txt files.
regards
ravi
------------------------------
Date: Thu, 20 Sep 2012 17:03:16 +0000
From: "Fowler, Andrew" <[log in to unmask]>
Subject: Re: relaxation analysis
Hi Ravi,
You should be able to display the list in Analysis, then right click
anywhere in the displayed list and select export from the popup. I'm
pretty sure you can then choose which columns you want, then save it as a
text file.
Cheers,
Andrew
On 9/20/12 11:56 AM, "Ravi Pratap Barnwal"
<[log in to unmask]<mailto:[log in to unmask]>> wrote:
Hi,
I was doing relaxation analysis on few proteins. It seems, the
"relaxationanalysis" macro is very useful for the plotting and looking at
the relaxation patterns. I want to transfer these T1, T2 and nOe values as
text file sothat i can run relax/modelfree software for complete
relaxation analysis. Is there a way to transfer these T1/T2 and nOe values
stored in "resonances->measurement lists" as .txt files.
regards
ravi
________________________________
Notice: This UI Health Care e-mail (including attachments) is covered by
the Electronic Communications Privacy Act, 18 U.S.C. 2510-2521, is
confidential and may be legally privileged. If you are not the intended
recipient, you are hereby notified that any retention, dissemination,
distribution, or copying of this communication is strictly prohibited.
Please reply to the sender that you have received the message in error,
then delete it. Thank you.
________________________________
------------------------------
Date: Thu, 20 Sep 2012 10:11:49 -0700
From: Ravi Pratap Barnwal <[log in to unmask]>
Subject: Re: relaxation analysis
Thank you very much It helped me a lot.
regards
ravi
On Thu, Sep 20, 2012 at 10:03 AM, Fowler, Andrew
<[log in to unmask]>wrote:
> Hi Ravi,
>
> You should be able to display the list in Analysis, then right click
> anywhere in the displayed list and select export from the popup. I'm pretty
> sure you can then choose which columns you want, then save it as a text
> file.
>
> Cheers,
> Andrew
>
>
> On 9/20/12 11:56 AM, "Ravi Pratap Barnwal" <[log in to unmask]> wrote:
>
> Hi,
> I was doing relaxation analysis on few proteins. It seems, the
> "relaxationanalysis" macro is very useful for the plotting and looking at
> the relaxation patterns. I want to transfer these T1, T2 and nOe values as
> text file sothat i can run relax/modelfree software for complete relaxation
> analysis. Is there a way to transfer these T1/T2 and nOe values stored in
> "resonances->measurement lists" as .txt files.
>
> regards
> ravi
>
>
>
> ------------------------------
> Notice: This UI Health Care e-mail (including attachments) is covered by
> the Electronic Communications Privacy Act, 18 U.S.C. 2510-2521, is
> confidential and may be legally privileged. If you are not the intended
> recipient, you are hereby notified that any retention, dissemination,
> distribution, or copying of this communication is strictly prohibited.
> Please reply to the sender that you have received the message in error,
> then delete it. Thank you.
> ------------------------------
>
------------------------------
End of CCPNMR Digest - 19 Sep 2012 to 20 Sep 2012 (#2012-150)
*************************************************************
Madeleine Strickland
MCJC Group
N317, School of Chemistry, Bristol University
|