CYANA Command: atoms list: Difference between revisions

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== 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

Revision as of 14:30, 6 August 2009

Parameters

selection=string
(default: none)

Description

List properties of the selected atoms. 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. The following properties are 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 (Å) • Mass used in torsion angle dynamics (not relevant if the standard “cluster masses” are used) • Chemical shift value in the first chemical shift list, if present • Constant for NOE upper distance bound calibration

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