void OEGetCenterAndExtents(const OEMolBase &mol, float *ctr, float *ext)
Determines the bounding box that can encompass the molecule. The length of
each side of the box is output in the 3-element array extents. The geometric
center of the box is output to the center parameter.
The molecule to calculate center and extents.
The output box center vector. The vector must have a defined size of at least three.
The output box lengths vector. The vector must have a defined size of at least three.
The center of the box is different from the center-of-mass of the molecule.