Hi.
I have made a custom intensity peak/model file, for easy import in relax.
The form is:
protein 10 L 10 N 3.377659e+05 6.362446e+05
protein 6 V 6 N 1.697771e+06 3.015788e+06
protein 63 Y 63 N 8.673898e+05 1.726064e+06
protein 4 Y 4 N 2.339480e+06 4.039142e+06
protein 67 M 67 N 2.574062e+06 4.313824e+06
protein 5 E 5 N 1.609356e+06 2.927111e+06
protein 65 V 65 N 2.179341e+06 4.067343e+06
protein 38 E 38 N 1.563795e+06 2.921316e+06
protein 7 N 7 N 1.535896e+06 3.005234e+06
protein 75 L 75 N 3.578841e+06 6.352595e+06
This goes fine for model import, with standard settings.
Start new analysis
Relaxation dispersion analysis
Relaxation dispersion experiment type selection
CPMG, fixed time
Data pipe set up
The starting data pipe for the analysis = origin - relax_disp (Mon Jun
3 17:08:30 2013)
The data pipe bundle = relax_disp (Mon Jun 3 17:08:30 2013)
Click: Spin editor
Click: Load spins
Make a test file: test.seq
Click: From a file containing sequence data
The file name = test.seq
The spin ID string = Leave empty
Free format
Molecule name column (mol_name_col) = 1
Residue number column (res_num_col) = 2
Residue name column (res_name_col) = 3
Spin number column (spin_num_col) = 4
Spin name column (spin_name_col) = 5
You can then rename molecule by, right click "Molecule: protein",
"Name the molecule", Set "The new molecule name" to for example
"Test". Apply, then OK.
Add spectra
Click "Add"
The file name = test.seq
The Spectrum ID string: 2,0
The Intensity column: 6,7
rest is default
Error:
No corresponding data could be found within the file.
I can import single wise.
best
Troels
Troels Emtekær Linnet
Custom Peak intensity reading