schrodinger.application.jaguar.chirality module

schrodinger.application.jaguar.chirality.chirality_is_conserved(st1, st2, debug=False)

Check that the atom numbering (and true) chirality is conserved for all atoms. Note that the atoms in st1 and st2 must have the same ordering.

schrodinger.application.jaguar.chirality.get_chirality(st)

Make list of the chiralities and stereo chemistry.

Parameters:st (Structure instance) – Use the atoms in this structure
Returns:list of chirality/stereo chemistry
schrodinger.application.jaguar.chirality.get_atom_numbering_chirality(st)

Make list of the chiralities and stereo chemistry due to atom number for the atoms in st.

Parameters:st (Structure instance) – Use the atoms in this structure
Returns:list of chirality/stereo chemistry