Greg Landrum 14e396c26d refactoring the SMILES parser to make it more efficient ...

NOTE: this changes the ordering of bonds in molecules with branches.

2012-08-28 04:01:49 +00:00

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src-test/org/RDKit

refactoring the SMILES parser to make it more efficient

2012-08-28 04:01:49 +00:00

CMakeLists.txt

more windows building fixes

2012-02-25 10:38:14 +00:00

GraphMolJava.i

clean up + add support for D and T in molecular formula

2012-07-27 06:16:45 +00:00

std_list.i

additional functionality required by the knime nodes

2011-04-12 10:09:41 +00:00

std_vector.i

additional functionality required by the knime nodes

2011-04-12 10:09:41 +00:00