CYANA Command: molecules symdist: Difference between revisions

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== Parameters ==
== Parameters ==


; first=''string''                 (required)
; first=''[[atom selection]]'': (required)
; second=''string''               (required)
; second=''[[atom selection]]'': (required)
; number=''integer'': (default: 100000)
; number=''integer'': (default: 100000)
; append
; append

Latest revision as of 13:01, 13 August 2009

Parameters

first=atom selection
(required)
second=atom selection
(required)
number=integer
(default: 100000)
append

Description

Imposes distance difference restraints that favor a symmetric relative orientation of the monomers in a symmetric multimer. The command defines restraints on the difference between corresponding distances between atoms selected by the first and the second atom selection. in the monomers of a symmetric multimer. Typically, the first selection selects a subset of the atoms of the first monomer, and the second selection selects the corresponding atoms in the second monomer. For each pair of distances between corresponding atoms A/A’ and B/B’ that match the first and second selection, respectively, a term wide(dAB’-dA’B)2 is added to the target function, where wide is the weighting factor defined by the variable weight_sym.