Couplings set

couplings_set

Parameters

selection=string

(default: none)

value=string

(default: none)

tolerance=string

(default: none)

weight=string

(default: none)

karpluscurve=string

(default: none)

Description

This command sets properties of the scalar coupling constant restraints that match the selection string. 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.

Properties that can be set:

• value scalar coupling constant value
• tolerance scalar coupling constant tolerance
• weight relative weight of the restraint
• karpluscurve Karplus curve parameters

Karplus curves must be specified in the form 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.