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° | Radius<Atom|Res|Mol|Obj|All> | - |
Calculate the VdW radius |
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| | | Command | | Argument | | Datatype | | Default | | Min | | Max | |
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| Format: | | Radius<Atom|Res|Mol|Obj|All> | Selection | |
SELECTION | | - | | - |
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| Python: | | resultlist = Radius<Atom|Res|Mol|Obj|All>(selection1) | | ||||||||||
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| Menu: | | Analyze > Radius of | | ||||||||||
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| Related: | | Distance, Angle , Dihedral, Mass | | ||||||||||
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| Required: | |  | |
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The Radius
command calculates the radius of a sphere located at the geometric center
of the selection that encloses the complete selection.
If the selection consists of just a single atom, the result is simply the Van der Waals radius of this atom.
Calculations are based on YASARA's standard Van der Waals radii except when a force field
(excluding NOVA) has been initialized. In this case, the command works with the Van der Waals radii defined by the force field.
Example 1:
RadiusAtom 126
Get the Van der Waals radius of atom 126.
Example 2:
RadiusRes Gly 34
Get the radius of the Van der Waals sphere placed at the center of residue Gly
34 that completely encloses this residue.
Example 3:
radius = RadiusObj 1crn
As above for the entire object 1crn, and assign the result to variable
'radius'.
Example 4:
radiuslist() = RadiusAtom Obj 1crn
Assign the Van der Waals radii of all atoms in object 1crn to list
'radiuslist'.