Distances set: Difference between revisions
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; weight=''string'': weight for distance restraint (default: -) | ; weight=''string'': weight for distance restraint (default: -) | ||
; confine=''string'': maximal violation for violation confinement (default: -) | ; confine=''string'': maximal violation for violation confinement (default: -) | ||
; selection=<string>: (default: <blank>) | |||
; bound=<string>: (default: <blank>) | |||
; weight=<string>: (default: <blank>) | |||
; confine=<string>: (default: <blank>) | |||
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. | |||
== Description == | == Description == | ||
Revision as of 15:14, 28 January 2009
Set properties of distance restraints
Parameters
- selection=string
- Distance restraint selection (default: -)
- bound=string
- Distance bound (default: -)
- weight=string
- weight for distance restraint (default: -)
- confine=string
- maximal violation for violation confinement (default: -)
- selection=<string>
- (default: <blank>)
- bound=<string>
- (default: <blank>)
- weight=<string>
- (default: <blank>)
- confine=<string>
- (default: <blank>)
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.
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 Ångstrom
- weight: relative weight
- confine: confinement limit for violation confinement, given in Ångstrom
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 Å:
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