Generating Protein Structure Statistics Table - Revision history

Mjeppesen: /* Example Structural Statistics Table */

2022-01-20T05:12:42Z

Example Structural Statistics Table

← Older revision		Revision as of 05:12, 20 January 2022
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	[[~~File~~:Structure_energy_table.doc]]		[[media:Structure_energy_table.doc \|Check it Out!]]

2022-01-20T05:06:59Z

← Older revision		Revision as of 05:06, 20 January 2022
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	[[Media:Example.ogg]]~~[[category:Protocols]]~~		<!--[[Media:Example.ogg]]-->
	[[category:Data_Processing_and_Analysis]]		[[category:Data_Processing_and_Analysis]]
	= Definitions =		= Definitions =

2021-09-11T05:08:57Z

Added to Category

← Older revision		Revision as of 05:08, 11 September 2021
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	[[Media:Example.ogg]][[category:Protocols]]		[[Media:Example.ogg]][[category:Protocols]]
			[[category:Data_Processing_and_Analysis]]
	= Definitions =		= Definitions =
	# <SA> is an ensemble of the "best" 30 simulated annealing structures		# <SA> is an ensemble of the "best" 30 simulated annealing structures

2013-12-15T18:17:16Z

← Older revision		Revision as of 18:17, 15 December 2013
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	[[Media:Example.ogg]][[category:Protocols]]		[[Media:Example.ogg]][[category:Protocols]]
	==Definitions==		= Definitions =
	# <SA> is an ensemble of the "best" 30 simulated annealing structures		# <SA> is an ensemble of the "best" 30 simulated annealing structures
	# <font style="text-decoration:overline">SA</font> is average structure		# <font style="text-decoration:overline">SA</font> is average structure

2013-12-15T18:17:04Z

← Older revision		Revision as of 18:17, 15 December 2013
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	Use at your own risk. If it doesn't work, it doesn't work. If it does work, it will complete all tasks described below except the PROCHECK analysis.		Use at your own risk. If it doesn't work, it doesn't work. If it does work, it will complete all tasks described below except the PROCHECK analysis.

	=~~=Location~~ of ~~XPLOR, awk and csh Files=~~=		= Manual Method: Use a set of old scripts =
	'''/home/PROGRAMS/XPLOR_FILES/analysis'''		All script files required by this method are stored in '''/home/PROGRAMS/XPLOR_FILES/analysis'''.
	==RMS Deviations from Experimental Distance Restraints==		==RMS Deviations from Experimental Distance Restraints==
	# NOE.cor file needs to be subdivided into separate files containing different constraints classes		# NOE.cor file needs to be subdivided into separate files containing different constraints classes

2013-12-15T18:12:48Z

Experimental: Python table calculator

← Older revision		Revision as of 18:12, 15 December 2013
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	Run the following commands if you want to try the automagic structure statistics table calculator:		Run the following commands if you want to try the automagic structure statistics table calculator:

	cp /home/bworley/research/struct-stats/*.{py,inp.in} ./		cd /path/to/my/structure/calculation/files
			/home/bworley/research/struct-stats/pull
	vi options.py		vi options.py
	./Table.py		./Table.py

2013-12-15T16:58:41Z

Experimental: Python table calculator

← Older revision		Revision as of 16:58, 15 December 2013
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	The step in which '''options.py''' is edited is the most critical. All the files required by the calculator must be available in the current working directory and accessible by the filenames stored in the options file.		The step in which '''options.py''' is edited is the most critical. All the files required by the calculator must be available in the current working directory and accessible by the filenames stored in the options file.

	Use at your own risk. If it doesn't work, it doesn't work. If it does work, it will complete all tasks described below ~~up to~~ the PROCHECK analysis.		Use at your own risk. If it doesn't work, it doesn't work. If it does work, it will complete all tasks described below except the PROCHECK analysis.

	==Location of XPLOR, awk and csh Files==		==Location of XPLOR, awk and csh Files==

2013-12-14T01:52:06Z

Experimental: Python table calculator

← Older revision		Revision as of 01:52, 14 December 2013
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	The step in which '''options.py''' is edited is the most critical. All the files required by the calculator must be available in the current working directory and accessible by the filenames stored in the options file.		The step in which '''options.py''' is edited is the most critical. All the files required by the calculator must be available in the current working directory and accessible by the filenames stored in the options file.

	Use at your own risk. If it doesn't work, it doesn't work.		Use at your own risk. If it doesn't work, it doesn't work. If it does work, it will complete all tasks described below up to the PROCHECK analysis.

	==Location of XPLOR, awk and csh Files==		==Location of XPLOR, awk and csh Files==

2013-12-14T01:50:21Z

← Older revision		Revision as of 01:50, 14 December 2013
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	# <font style="text-decoration:overline">SA</font> is average structure		# <font style="text-decoration:overline">SA</font> is average structure
	# <font style="text-decoration:overline">(SA)</font>r is the restrained minimized average structures		# <font style="text-decoration:overline">(SA)</font>r is the restrained minimized average structures
			= Experimental: Python table calculator =
			Run the following commands if you want to try the automagic structure statistics table calculator:

			cp /home/bworley/research/struct-stats/*.{py,inp.in} ./
			vi options.py
			./Table.py
			cat table.txt

			The step in which '''options.py''' is edited is the most critical. All the files required by the calculator must be available in the current working directory and accessible by the filenames stored in the options file.

			Use at your own risk. If it doesn't work, it doesn't work.

	==Location of XPLOR, awk and csh Files==		==Location of XPLOR, awk and csh Files==
	'''/PROGRAMS/XPLOR_FILES/analysis'''		'''/home/PROGRAMS/XPLOR_FILES/analysis'''
	==RMS Deviations from Experimental Distance Restraints==		==RMS Deviations from Experimental Distance Restraints==
	# NOE.cor file needs to be subdivided into separate files containing different constraints classes		# NOE.cor file needs to be subdivided into separate files containing different constraints classes

2012-03-13T00:02:23Z

1 revision: Protocols

← Older revision	Revision as of 00:02, 13 March 2012
(No difference)