Distances set

Set properties of distance restraints

Parameters

selection=string

String. Default: -.

Distance restraint selection.

bound

<string>

Distance bound. Default: -

weight

weight for distance restraint. Default: -

confine

<string>

maximal violation for violation confinement. Default: -

Description

This command sets properties of the distance restraints that match the selection string. By default, the selection made in the most recent distances select command is used, or all distance restraints if no selection has been made so far.

Properties that can be set:

• bound: distance bound, given in Angstrom
• weight: relative weight
• confine: confinement limit for violation confinement, given in Angstrom

The value of bound parameter can be an arbitrary real expression that may contain the symbols 'distance', 'distdev', 'distmin', and 'distmax' to denote, respectively, the average value, the standard deviation, the minimal value, and the the maximal value of the corresponding distance in the selected structures.

Examples

• Increase the distance bound of all distance restraints by 0.2 A:

distances set * bound=bound+0.2

• Set the relative weight of all distance restraints between SG atoms to 5.0:

 distances set "SG, SG" weight=5.0