Titration Data Analysis in nmrPipe - Revision history

Mjeppesen at 06:36, 20 January 2022

2022-01-20T06:36:15Z

← Older revision		Revision as of 06:36, 20 January 2022
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	11. Use gnuFix.py to edit gnu scripts if necessary		11. Use gnuFix.py to edit gnu scripts if necessary

	[[category:~~Protocols~~]]		[[category:Needs_Updating]]<!--this is just increadibly unhelpful-->
	[[category:Data_Processing_and_Analysis]]		[[category:Data_Processing_and_Analysis]]

Mjeppesen: LearningSorting

2021-09-11T04:46:11Z

LearningSorting

← Older revision		Revision as of 04:46, 11 September 2021
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	11. Use gnuFix.py to edit gnu scripts if necessary		11. Use gnuFix.py to edit gnu scripts if necessary

	[[category:~~Protocols\|~~Protocols]]		[[category:Protocols]]
	[[category:Data_Processing_and_Analysis]]		[[category:Data_Processing_and_Analysis]]

Mjeppesen: Added to Category

2021-09-11T03:23:42Z

Added to Category

← Older revision		Revision as of 03:23, 11 September 2021
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	showTitr.tcl –in titrView.tab –var X_PPM Y_PPM –c 1.0 0.25		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		11. Use gnuFix.py to edit gnu scripts if necessary

			[[category:Protocols\|Protocols]]
			[[category:Data_Processing_and_Analysis]]

Jcatazaro at 21:19, 14 March 2017

2017-03-14T21:19:55Z

← Older revision		Revision as of 21:19, 14 March 2017
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	1. Type “csh” in your terminal to get a c-shell		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):		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…		000/5, 010/5, 020/5, etc…
	3. Run autoProc.com		3. Run autoProc.com
	./autoProc.com		./autoProc.com
	4. Use ft.com to make corrections		4. Use ft.com to make corrections
	5. Run setC.com		5. Run setC.com
	Edit - fileCount - zT		Edit - fileCount - zT
	- zN - zSW		- zN - zSW
	dirList ligandCList proteinCList		dirList ligandCList proteinCList
	There is an nmrPipe titration tutorial that can be referenced if you need more help.		There is an nmrPipe titration tutorial that can be referenced if you need more help.
	6. Open as a data series.		6. Open as a data series.
	nmrDraw ft/*.dat		nmrDraw ft/*.dat
	7. Peak detection, edit peak tables names.		7. Peak detection, edit peak tables names.
	tab/test%03d.tab, click “Detect”, click “Save”		tab/test%03d.tab, click “Detect”, click “Save”
	8. Run view2D		8. Run view2D
	view2D.tcl $* -export titrView –hi 2.2e+5 –in ft/.dat –tab tab/.tab		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”		Click “Start”, edit contours, click “Export Region”, edit peaks, click “Save”
	9. Run modelTitr		9. Run modelTitr
	modelTitr.tcl –axis XY –sigma 0.002 –cy 0.25		modelTitr.tcl –axis XY –sigma 0.002 –cy 0.25
	cy is the ratio of direct to indirect dimension SW		cy is the ratio of direct to indirect dimension SW
	10. Run showTitr		10. Run showTitr
	showTitr.tcl –in titrView.tab –var X_PPM Y_PPM –c 1.0 0.25		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		11. Use gnuFix.py to edit gnu scripts if necessary

Jcatazaro: Created page with "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 ..."

2017-03-14T21:18:37Z

Created page with "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 ..."

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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