Commit Graph

6 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
9ebc0a67d3 add 2011-04-08 02:48:25 +00:00
Greg Landrum
7e3c70f71a missed some files on the commit 2011-04-08 02:46:35 +00:00
Greg Landrum
c7ef21088b add initial version of new swig wrappers 2011-04-07 05:22:00 +00:00