Distances set: Difference between revisions

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''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: -)


== Parameters ==


; selection=''string'': (default: ''none'')
; selection=''string'': (default: ''none'')
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; weight=''string'': (default: ''none'')
; weight=''string'': (default: ''none'')
; confine=''string'': (default: ''none'')
; confine=''string'': (default: ''none'')
== Description ==


This command sets properties of the distance restraints that match the
This command sets properties of the distance restraints that match the
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the minimal value, and the the maximal value of the corresponding
the minimal value, and the the maximal value of the corresponding
distance in the selected structures.
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
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Revision as of 19:25, 28 January 2009

Parameters

selection=string
(default: none)
bound=string
(default: none)
weight=string
(default: none)
confine=string
(default: none)

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.

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