Greg Landrum 37c342046a 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

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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

additional functionality required by the knime nodes

2011-04-12 10:07:52 +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