CYANA Command: atoms list: Difference between revisions

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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

Revision as of 13:32, 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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