OEGetNearbyResidueΒΆ

OENearestResidue OEGetNearbyResidue(const OE2DActiveSiteDisplay &disp,
                     const OEDepict::OE2DPoint &point, double radiusscale=1.0)

Returns an OENearestResidue object that stores the residue which is depicted nearest to a given 2D display coordinates. By default, only residues that not further than a radius distance from the given point will be considered.

disp
The OE2DActiveSiteDisplay object of which atoms are being considered.
point
Specifies the 2D display coordinates.
radiusscale
The multiplier that can be used to increase or to decrease the radius around the given point to be considered. This value has to be in a range of \([0.75, 3.0]\).

Note

If there is no residue close to the given display coordinates, then the OENearestResidue::IsValid method returns false.

See also