OECalcInternalCoordΒΆ

void OECalcInternalCoord(float *a, float *b, float *c, float *x, float *z)

Given the Cartesian coordinates of the three reference atoms, in the arrays ‘a’, ‘b’ and ‘c’, convert the Cartesian coordinate specified by ‘x’, to an internal coordinate in the buffer pointed to by ‘z’.