Module rdMolTransforms

Canonicalize the orientation of a conformer so that its principal axes
               around the specified center point coincide with the x, y, z axes
  
  ARGUMENTS:
    - conf : conformer of interest 
    - center : optionally center point about which the principal axes are computed 
                          if not specified the centroid of the conformer will be used
    - normalizeCovar : Optionally normalize the covariance matrix by the number of atoms

C++ signature:
    CanonicalizeConformer(RDKit::Conformer {lvalue} conf, RDGeom::Point3D const* center=None, bool normalizeCovar=False, bool ignoreHs=True) -> void*

Loop over the conformers in a molecule and canonicalize their orientation
C++ signature:
    CanonicalizeMol(RDKit::ROMol {lvalue} mol, bool normalizeCovar=False, bool ignoreHs=True) -> void*

Compute the transformation required aligna conformer so that
               the the principal axes align up with the x,y, z axes
               The conformer itself is left unchanged
  ARGUMENTS:
    - conf : the conformer of interest
    - center : optional center point to compute the principal axes around (defaults to the centroid)
    - normalizeCovar : optionally normalize the covariance matrix by the number of atoms

C++ signature:
    ComputeCanonicalTransform(RDKit::Conformer conf, RDGeom::Point3D const* center=None, bool normalizeCovar=False, bool ignoreHs=True) -> _object*

Compute the centroid of the conformation - hydrogens are ignored and no attention
                           if paid to the difference in sizes of the heavy atoms

C++ signature:
    ComputeCentroid(RDKit::Conformer conf, bool ignoreHs=True) -> RDGeom::Point3D

Transform the coordinates of a conformer
C++ signature:
    TransformConformer(RDKit::Conformer {lvalue}, boost::python::api::object) -> void*