Table of Contents

Module: inchi-experimental ../bkchem/oasa/oasa/inchi-experimental.py
Functions   
file_to_mol
generate_inchi
mol_to_file
mol_to_text
text_to_mol
  file_to_mol 
file_to_mol ( f )

  generate_inchi 
generate_inchi ( m )

  mol_to_file 
mol_to_file ( mol,  f )

  mol_to_text 
mol_to_text ( mol )

  text_to_mol 
text_to_mol (
        text,
        include_hydrogens=True,
        mark_aromatic_bonds=False,
        calc_coords=1,
        )

Classes   

inchi


Table of Contents

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