CYANA Command: atoms list - Revision history

Masayo: /* Parameters */

2009-08-13T09:49:47Z

Parameters

← Older revision		Revision as of 11:49, 13 August 2009
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	== Parameters ==		== Parameters ==

	; selection=''~~string~~'': (default: ''none'')		; selection=''[[atom selection]]'': (default: ''none'')

	== Description ==		== Description ==

Admin: /* Description */

2009-08-06T12:32:24Z

Description

← Older revision		Revision as of 14:32, 6 August 2009
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	List properties of the selected atoms. By default, the selection made in the most recent [[CYANA Commands: atoms select\|'''atoms select''']] command is used, or all atoms if no selection has been made so far. The following properties are listed:		List properties of the selected atoms. By default, the selection made in the most recent [[CYANA Commands: atoms select\|'''atoms select''']] command is used, or all atoms if no selection has been made so far. The following properties are listed:
	• Atom name
	• Residue name		* Atom name
	• Residue number		* Residue name
	• Original atom name in the library, if different from the current name used		* Residue number
	• Name of the diastereotopic partner atom, if present (isopropyl methyl hydrogens are listed in parentheses)		* Original atom name in the library, if different from the current name used
	• Name of the corresponding pseudo atom, if present		* Name of the diastereotopic partner atom, if present (isopropyl methyl hydrogens are listed in parentheses)
	• Name of the corresponding heavy atom, for hydrogens and pseudo atoms		* Name of the corresponding pseudo atom, if present
	• Radius for steric repusion (Å)		* Name of the corresponding heavy atom, for hydrogens and pseudo atoms
	• Mass used in torsion angle dynamics (not relevant if the standard “cluster masses” are used)		* Radius for steric repusion (Å)
	• Chemical shift value in the first chemical shift list, if present		* Mass used in torsion angle dynamics (not relevant if the standard “cluster masses” are used)
	• Constant for NOE upper distance bound calibration		* Chemical shift value in the first chemical shift list, if present
			* Constant for NOE upper distance bound calibration

Admin: /* Description */

2009-08-06T12:30:25Z

Description

← Older revision		Revision as of 14:30, 6 August 2009
Line 6:		Line 6:
	== Description ==		== Description ==

	~~Command to list~~ properties of the atoms ~~matched by the selection~~		List properties of the selected atoms. By default, the selection made in the most recent [[CYANA Commands: atoms select\|'''atoms select''']] command is used, or all atoms if no selection has been made so far. The following properties are listed:
	~~''string''~~. By default, the selection made in the most recent '''atoms		• Atom name
	select''' command is used, or all atoms if no selection has been made		• Residue name
	so far.		• Residue number
			• Original atom name in the library, if different from the current name used
	~~Properties~~ listed:		• Name of the diastereotopic partner atom, if present (isopropyl methyl hydrogens are listed in parentheses)
			• Name of the corresponding pseudo atom, if present
	* Atom name		• Name of the corresponding heavy atom, for hydrogens and pseudo atoms
	* Residue name		• Radius for steric repusion (Å)
	* Residue number		• Mass used in torsion angle dynamics (not relevant if the standard “cluster masses” are used)
	* Original atom name in the library, if different from the current name used		• Chemical shift value in the first chemical shift list, if present
	* Name of the diastereotopic partner atom, if present		• Constant for NOE upper distance bound calibration
	(isopropyl methyl hydrogens are listed in parentheses)
	* Name of the corresponding pseudo atom, if present
	* Name of the corresponding heavy atom, for hydrogens and pseudo atoms
	* Radius for steric repusion (A)
	* Mass used in torsion angle dynamics
	(not ~~used~~ if ~~"cluster masses"~~ are used)
	* Chemical shift value in the first chemical shift list, if present
	* Constant for NOE upper distance bound calibration

Admin: 1 revision

2009-01-29T11:26:54Z

1 revision

New page

== Parameters ==

; selection=''string'': (default: ''none'')

== Description ==

Command to list properties of the atoms matched by the selection
''string''. By default, the selection made in the most recent '''atoms
select''' command is used, or all atoms if no selection has been made
so far.

Properties listed:

* Atom name
* Residue name
* Residue number
* Original atom name in the library, if different from the current name used
* Name of the diastereotopic partner atom, if present
(isopropyl methyl hydrogens are listed in parentheses)
* Name of the corresponding pseudo atom, if present
* Name of the corresponding heavy atom, for hydrogens and pseudo atoms
* Radius for steric repusion (A)
* Mass used in torsion angle dynamics
(not used if "cluster masses" are used)
* Chemical shift value in the first chemical shift list, if present
* Constant for NOE upper distance bound calibration