schrodinger.application.jaguar.chirality module¶
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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.
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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
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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