Greg Landrum acbc80ef73 sync with trunk. add inchi support to java wrapper.

2011-06-29 04:42:05 +00:00

..

src-test/org/RDKit

add isotopic mass information; add molecular formula calculation; add isotopic mass calculator; expose additional descriptors to java

2011-04-18 10:11:09 +00:00

CMakeLists.txt

additional functionality required by the knime nodes

2011-04-12 10:07:52 +00:00

GraphMolJava.i

sync with trunk. add inchi support to java wrapper.

2011-06-29 04:42:05 +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