CYANA Command: couplings set: Difference between revisions
Jump to navigation
Jump to search
| Line 14: | Line 14: | ||
:;tolerance: scalar coupling constant tolerance | :;tolerance: scalar coupling constant tolerance | ||
:;weight: relative weight of the restraint | :;weight: relative weight of the restraint | ||
:;karpluscurve: Karplus curve, which must be given as ''A''+''B'' | :;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. | ||
Revision as of 14:48, 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.