CYANA Command: molecules symdist: Difference between revisions
Jump to navigation
Jump to search
m (1 revision) |
|||
| (3 intermediate revisions by the same user not shown) | |||
| Line 2: | Line 2: | ||
== Parameters == | == Parameters == | ||
; first='' | ; first=''[[atom selection]]'': (required) | ||
; second='' | ; second=''[[atom selection]]'': (required) | ||
; number=''integer'': (default: 100000) | ; number=''integer'': (default: 100000) | ||
; append | ; 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 ''w''<sub>ide</sub>(''d''<sub>AB’</sub>-''d''<sub>A’B</sub>)<sup>2</sup> is added to the target function, where ''w''<sub>ide</sub> is the weighting factor defined by the variable [[CYANA Variables: weight_sym|'''weight_sym''']]. | |||
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.