CYANA Command: couplings set: Difference between revisions
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== Parameters == | == Parameters == | ||
; selection='' | ; selection=''[[scalar coupling selection]]'': (default: ''none'') | ||
; value=''string'': (default: ''none'') | ; value=''string'': (default: ''none'') | ||
; tolerance=''string'': (default: ''none'') | ; tolerance=''string'': (default: ''none'') | ||
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== Description == | == Description == | ||
Sets properties of the scalar coupling constant restraints that match the given ''selection''. By default, the selection made in the most recent [[CYANA Commands: couplings select|'''couplings select''']] command is used, or all scalar coupling constant restraints if no selection has been made so far. | |||
that match the | The following properties can be set: | ||
in the most recent '''couplings select''' command is used, or all scalar | ;value: scalar coupling constant value | ||
coupling constant restraints if no selection has been made so far. | ;tolerance: scalar coupling constant tolerance | ||
;weight: relative weight of the restraint | |||
;karpluscurve: Karplus curve, which must be given as ''A'''''+'''''B'''''*cos(d)+'''''C'''''*cos(d)**2''', where ''A'', ''B'' and ''C'' are real numbers, and '''d''' denotes the value of the torsion angle formed by the two scalar coupled atoms. | |||
where A, B and C are real numbers, and d denotes the value of the | |||
torsion angle formed by the two scalar coupled atoms. | |||
Latest revision as of 15:49, 13 August 2009
Parameters
- selection=scalar coupling selection
- (default: none)
- value=string
- (default: none)
- tolerance=string
- (default: none)
- weight=string
- (default: none)
- karpluscurve=string
- (default: none)
Description
Sets properties of the scalar coupling constant restraints that match the given selection. By default, the selection made in the most recent couplings select command is used, or all scalar coupling constant restraints if no selection has been made so far. The following properties can be set:
- value
- scalar coupling constant value
- tolerance
- scalar coupling constant tolerance
- weight
- relative weight of the restraint
- karpluscurve
- Karplus curve, which must be given as A+B*cos(d)+C*cos(d)**2, where A, B and C are real numbers, and d denotes the value of the torsion angle formed by the two scalar coupled atoms.