Files
rdkit/Code/GraphMol/Chirality.cpp
Greg Landrum d6741adc22 make some types more explicit in MolOps.h (easier SWIG wrapping)
support finding non-specfied chiral centers
remove vestigial GetFragmentSmiles() function
additional flexibility in AllChem.TransformMol()
2011-02-24 08:00:39 +00:00

41 KiB