CYANA Command: molecules symdist: Difference between revisions
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== Parameters == | == Parameters == | ||
; first=''string'' | ; first=''string'': (required) | ||
; second=''string'' | ; second=''string'': (required) | ||
; number=''integer'': (default: 100000) | ; number=''integer'': (default: 100000) | ||
; append | ; append |
Revision as of 14:30, 12 August 2009
Parameters
- first=string
- (required)
- second=string
- (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.