Titration Data Analysis in nmrPipe

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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
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