OESetPackedCoordsΒΆ

void OESetPackedCoords(OEMolBase &mol, const float *coords)
void OESetPackedCoords(OEMolBase &mol, const double *coords)

Sets the coordinates of the molecule to the coordinates passed in the coords argument. The coords array must be at least of size OEMolBase::NumAtoms *3. The atom coordinates in the coords array should be packed and they should be in the same order as the atoms in the iterator returned by OEMolBase::GetAtoms.

mol
The molecule to set coordinates.
coords
The array with coordinates.