CYANA Command: atoms list

From CYANA Wiki
Jump to navigation Jump to search


selection=atom selection
(default: none)


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