rdkit.Chem.SATIS module — The RDKit 2016.09.1 documentation

# rdkit.Chem.SATIS module

Functionality for SATIS typing atoms

`rdkit.Chem.SATIS.` `SATISTypes`(mol, neighborsToInclude=4)

  returns SATIS codes for all atoms in a molecule

  The SATIS definition used is from: J. Chem. Inf. Comput. Sci. _39_ 751-757 (1999)

  each SATIS code is a string consisting of _neighborsToInclude_ + 1 2 digit numbers

  Arguments

  > - mol: a molecule
  > - neighborsToInclude (optional): the number of neighbors to include in the SATIS codes

  Returns

  > a list of strings nAtoms long