Atoms list

atoms list

List properties of atoms

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