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° | ScaleRest<Atom|Res|Mol|Obj|All> | - |
Scale restraints |
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| | | Command | | Argument |
| Datatype | | Default | | Min | | Max | |
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| Format: | | ScaleRest<Atom|Res|Mol|Obj|All> | Selection, | |
SELECTION | | - | | - |
| - | | |
| | Class = Restraint class name, | |
STRING | | All | | - |
| - | | |||
| | Distance = Distance restraint scaling factor, | | FLOAT | | - | | - | | - | | |||
| | Dihedral = Dihedral restraint scaling factor | | FLOAT | | - | | - | | - | | |||
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| Python: | | ScaleRest<Atom|Res|Mol|Obj|All>(selection1,Class,distance,dihedral) | | ||||||||||
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| Menu: | | Simulation > Scale restraints | | ||||||||||
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| Related: | | ShowRest , HideRest, DelRest , ListRest, LoadTbl , RestrainDis, RestrainDih , RestrainPot, RestrainPar , RestEnergy, RestViol | | ||||||||||
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| Required: | |  and the NMR Structure Determination Module | | ||||||||||
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The ScaleRest command sets the scaling factors for distance and dihedral angle restraints involving one of the selected atoms and belonging to the selected class.
The current scaling factors are shown by the ListRest
command.
The Class parameter allows to select a certain restraint class. In addition to
class names specified when loading the restraints
, the built-in names 'Violate' and 'Fulfill' select violated and fulfilled restraints respectively.
Example 1:
ScaleRestAll Distance=25,Dihedral=10
Set scaling factors for all distance and dihedral restraints to
25 and 10 respectively.
Example 2:
ScaleRestMol A,Class=Ambig,Distance=15
Set the scaling factor for distance restraints in molecule A belonging to class
'Ambig' to 15.
Example 3:
ScaleRestAtom Sidechain Res Arg,Distance=8
Set the scaling factor for distance restraints involving Arg side-chains to
8.