zmatrixToCartesian
public static javax.vecmath.Point3d[] zmatrixToCartesian(double[] distances,
int[] first_atoms,
double[] angles,
int[] second_atoms,
double[] dihedrals,
int[] third_atoms)
Takes the given Z Matrix coordinates and converts them to cartesian coordinates.
The first Atom end up in the origin, the second on on the x axis, and the third
one in the XY plane. The rest is added by applying the Zmatrix distances, angles
and dihedrals. Angles are in degrees.
- Parameters:
distances
- Array of distance variables of the Z matrixangles
- Array of angle variables of the Z matrixdihedrals
- Array of distance variables of the Z matrixfirst_atoms
- Array of atom ids of the first invoked atom in distance, angle and dihedralsecond_atoms
- Array of atom ids of the second invoked atom in angle and dihedralthird_atoms
- Array of atom ids of the third invoked atom in dihedral