Subject: Re: [nmr_sparky] Combining 'prot' files from 3D 15N NOESY and 13C NOESY
From: Mandar T. Naik
Date: May 25, 2007

Previous: 379

Hi Vivek,
Cyana needs to know identity of the three chemical shift columns in your
*.peaks file. If you use Xeasy, first few lines have that information.
Sparkys xe export adds only one line about the number of dimensions.
Please vi or use any other editor to append following lines with correct
information representing the way your data was acquired and processed.

# Number of dimensions 3
#FORMAT xeasy3D
#INAME 1 H
#INAME 2 C
#INAME 3 HC
#DYANAFORMAT hCH

Please see cyana_installation_folder/demo/formats/*.peaks.
Best regards
-mandar

On Friday 25 May 2007 21:38, Vivek anand wrote:
Hi, Thank you for your suggestions. I did open the 13C and 15N NOESY
spectra in the same Sparky session. I manually assigned NOESY spectra.
Since I am not very familiar with Sparky with great extent, can you please
tell me how do I put the xeasy header manually in the peaks file?

Many Thanks,

Vivek


Mandar T. Naik mandarn@... wrote:
Hi
Please open both 13C and 15N spectra in the same Sparky session. If you
havent manually assigned NOESY, please also load your resonance list
using rl. Now run xe. You need to put the xeasy header manually in the
peaks file. Hope this helps.
-mandar

On Friday 25 May 2007 17:30, Dr. S. Vivekanandan wrote:
Dear Sparky Users,

1. I have analysed all the backbone and sidechain peaks using
backbone and sidechain experiments.

2. I analysed 3D 15N-NOESY and created chemical shift files and peak
file (xe command - click write shifts (filename.prot), and click
write peaks (filename.peaks)

3. I analysed 3D 13C-NOESY and created chemical shift files and peak
file (xe command - click write shifts (filename.prot) and click
write peaks-(filename.peaks)

I use CYANA formy structural calculation.

The chemical shift files (filename.prot) that I derived from 13C
NOESY and 15N NOESY contains different numbers for the same atoms.
This creates problem while running CYANA as the assignment is
different due to two different prot files. I combined two prot
files into one using all_prot.cya which basically combines all the
chemical shifts to one file. But still I am unable to use both my
15N NOESY constaraints and 13C-NOESY constraints together. Can any
one suggest me the solution to this kind of problems I face in
SPARKY. Many Thanks,

Vivekanandan Ph.D

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