11 Commits

Author	SHA1	Message	Date
Greg Landrum	c757ea64b6	add support for replacements in smiles and smarts. ... remove SmilesToMol and SmartsToMol from RDKFuncs (they leaked) remove useless wrapper file (SmilesParseOps.i).	2011-07-07 05:45:31 +00:00
Greg Landrum	e2d9ed51b3	add svn props	2011-07-01 04:43:39 +00:00
Greg Landrum	acbc80ef73	sync with trunk. add inchi support to java wrapper.	2011-06-29 04:42:05 +00:00
Greg Landrum	762d4f42ac	update now that orientation is in the drawing stream	2011-06-20 03:01:34 +00:00
Greg Landrum	39dd461924	remove	2011-04-28 05:21:19 +00:00
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