CYANA Command: distances make: Difference between revisions
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== Parameters == | == Parameters == | ||
; first=''string'' | ; first=''string'': (required) | ||
; second=''string'' | ; second=''string'': (required) | ||
; levels=''integer range'': (default: -99999..99999) | ; levels=''integer range'': (default: -99999..99999) | ||
; distance=''real range'': (default: 0.0..99999.9) | ; distance=''real range'': (default: 0.0..99999.9) | ||
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; weight=''real'': (default: 1.0) | ; weight=''real'': (default: 1.0) | ||
; confine=''real'': (default: 1.0E20) | ; confine=''real'': (default: 1.0E20) | ||
; ambiguous | ; ambiguous | ||
== Description == | == Description == | ||
Makes new distance restraints between the atoms selected by the ''first'' and ''second'' atom selections, respectively, and adds them to the list of existing distance restraints. Alternatively, a single distance restraint with these assignment possibilities can be generated if the option '''ambiguous''' is given. Distance restraints will be added only for atom pairs for which the average distance in the selected structures is within the given ''distance'' range, if structures are present. An upper distance bound ''upl'' is made if the parameter '''upl''' is present. A lower distance bound ''lol'' is generated if the parameter '''lol''' is present. The relative ''weight'', and the violation ''confinement'' limit can be set. | |||
selections, respectively. | |||
the average distance in the selected structures is within the | |||
given | |||
''' | |||
Latest revision as of 15:17, 12 August 2009
Parameters
- first=string
- (required)
- second=string
- (required)
- levels=integer range
- (default: -99999..99999)
- distance=real range
- (default: 0.0..99999.9)
- upl=real
- (default: 1.0)
- lol=real
- (default: 1.0)
- weight=real
- (default: 1.0)
- confine=real
- (default: 1.0E20)
- ambiguous
Description
Makes new distance restraints between the atoms selected by the first and second atom selections, respectively, and adds them to the list of existing distance restraints. Alternatively, a single distance restraint with these assignment possibilities can be generated if the option ambiguous is given. Distance restraints will be added only for atom pairs for which the average distance in the selected structures is within the given distance range, if structures are present. An upper distance bound upl is made if the parameter upl is present. A lower distance bound lol is generated if the parameter lol is present. The relative weight, and the violation confinement limit can be set.