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37c342046a6b21787bfc6f2575fb77346c8bb2eb
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4 Commits

Author SHA1 Message Date
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
Greg Landrum
0d160c48f8 additional functionality required by the knime nodes 2011-04-12 10:09:41 +00:00
Greg Landrum
800a4c2149 additional functionality required by the knime nodes 2011-04-12 10:07:52 +00:00
Greg Landrum
c7ef21088b add initial version of new swig wrappers 2011-04-07 05:22:00 +00:00