Atoms set: Difference between revisions
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= atoms_set = | |||
== Parameters == | == Parameters == | ||
Latest revision as of 19:18, 28 January 2009
atoms_set
Parameters
- selection=string
- (default: none)
- mass=string
- (default: none)
- radius=string
- (default: none)
- shift=string
- (default: none)
- calibration=string
- (default: none)
- tolerance=string
- (default: none)
- residue=string
- (default: none)
- random=real
- (default: 1.0)
- undefined
- all
Description
Command to set properties of the atoms that match 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 that can be set:
- mass mass of the atom for torsion angle dynamics
- radius repulsive core radius in Angstrom
- shift the chemical shift
- calibration constant to derive distance bounds from peak volumes
- tolerance chemical shift uncertainty
- residue residue number