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° | GroupDistance | - | Get distance between two atom groups |
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| Command | | Argument | | Datatype | | Default | | Min |
| Max | |
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| Format: | | GroupDistance | Atom selection 1, | | SELECTION | |
- | | - | | - | | |
| | Atom selection 2 | | SELECTION | |
- | | - | | - | | |||
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| Python: | | result = GroupDistance(selection1,selection2) | | ||||||||||
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| Menu: | | Analyze > Geometry > Group distance | | ||||||||||
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| Related: | | GroupAngle, GroupDihedral , Distance, Angle , Dihedral | | ||||||||||
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| Required: | |  |
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The GroupDistance
command calculates the distance between the geometric centers of the two atom selections.
A typical application would be to calculate the distance between the geometric centers of amino acid side-chains or entire protein domains.
This command cannot be used while a simulation with periodic boundaries is running,
since geometric centers are then ambiguous.
Example 1:
GroupDistance Mol A,Mol B
Calculate the distance between the geometric centers of molecules A and B.
Example 2:
dis = GroupDistance CG CD? CE? CZ Res Phe 30,CG CD? CE? CZ Res Phe 52
Calculate the distance between the phenyl rings of residues Phe
30 and Phe 52, and assign the result to variable 'dis'.