OESetPackedCoords

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.