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ptosco 8b17ef13fd - modified Code/GraphMol/AddHs.cpp so that hydrogens are not 
removed when the heavy atom they are connected to is not
  in its default valence state, while it has one of the
  acceptable valence states (otherwise it still has to be
  removed for sanitization purposes)
- updated the MMFF validation suite SMILES accordingly
2014-02-01 13:05:10 +01:00
..
MMFF94_dative.sdf
- removed a spurious #ifdef [...] #endif from
2014-01-27 19:05:49 +01:00
MMFF94_dative.smi
- modified Code/GraphMol/AddHs.cpp so that hydrogens are not
2014-02-01 13:05:10 +01:00
MMFF94_hypervalent.sdf
- removed a spurious #ifdef [...] #endif from
2014-01-27 19:05:49 +01:00
MMFF94_hypervalent.smi
- modified Code/GraphMol/AddHs.cpp so that hydrogens are not
2014-02-01 13:05:10 +01:00
MMFF94s_dative.sdf
- removed a spurious #ifdef [...] #endif from
2014-01-27 19:05:49 +01:00
MMFF94s_dative.smi
- modified Code/GraphMol/AddHs.cpp so that hydrogens are not
2014-02-01 13:05:10 +01:00
MMFF94s_hypervalent.sdf
- removed a spurious #ifdef [...] #endif from
2014-01-27 19:05:49 +01:00
MMFF94s_hypervalent.smi
- modified Code/GraphMol/AddHs.cpp so that hydrogens are not
2014-02-01 13:05:10 +01:00
MMFF_reference_logs.tgz
- removed a spurious #ifdef [...] #endif from
2014-01-27 19:05:49 +01:00