Titration Data Analysis in nmrPipe: Difference between revisions
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11. Use gnuFix.py to edit gnu scripts if necessary | 11. Use gnuFix.py to edit gnu scripts if necessary | ||
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[[category:Data_Processing_and_Analysis]] | [[category:Data_Processing_and_Analysis]] | ||
Latest revision as of 06:36, 20 January 2022
Titration Data Analysis in nmrPipe
1. Type “csh” in your terminal to get a c-shell
2. In a directory that contains the data folders create an “in.list” file which lists your data directories (vertically):
000/5, 010/5, 020/5, etc…
3. Run autoProc.com
./autoProc.com
4. Use ft.com to make corrections
5. Run setC.com
Edit - fileCount - zT
- zN - zSW
dirList ligandCList proteinCList
There is an nmrPipe titration tutorial that can be referenced if you need more help.
6. Open as a data series.
nmrDraw ft/*.dat
7. Peak detection, edit peak tables names.
tab/test%03d.tab, click “Detect”, click “Save”
8. Run view2D
view2D.tcl $* -export titrView –hi 2.2e+5 –in ft/*.dat –tab tab/*.tab
Click “Start”, edit contours, click “Export Region”, edit peaks, click “Save”
9. Run modelTitr
modelTitr.tcl –axis XY –sigma 0.002 –cy 0.25
cy is the ratio of direct to indirect dimension SW
10. Run showTitr
showTitr.tcl –in titrView.tab –var X_PPM Y_PPM –c 1.0 0.25
11. Use gnuFix.py to edit gnu scripts if necessary