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Isomeric fix in PandasTools #369

Merged
merged 3 commits into from
Oct 31, 2014
Merged

Isomeric fix in PandasTools #369

merged 3 commits into from
Oct 31, 2014

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samoturk
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  • SMILES column can now contain isomeric SMILES when loading from sdf
  • Isomeric SMILES can now be saved with SaveSMILESFromFrame
  • Removed from rdkit.Chem import MolToSmiles and fixed AddMurckoToFrame accordingly

greglandrum added a commit that referenced this pull request Oct 31, 2014
@greglandrum
Merge pull request #369 from samoturk/isomeric_fix
d924552 
Isomeric fix in PandasTools
@greglandrum greglandrum merged commit d924552 into rdkit:master Oct 31, 2014
@greglandrum greglandrum added this to the 2015_03_1 milestone Oct 31, 2014
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