9 Commits

Author	SHA1	Message	Date
Greg Landrum	21393521a3	first java wrappers of pdb stuff	2013-10-11 18:06:09 +02:00
Greg Landrum	dafff3bcaf	stop including our own std_vector.i, instead just extend the one provided with swig; duplicate the std_list file into the csharp wrapper in case it ends up needing to be different	2012-11-21 16:11:16 +00:00
Greg Landrum	3a3b582d28	clean up + add support for D and T in molecular formula	2012-07-27 06:16:45 +00:00
Greg Landrum	2575bfbfb6	initial addition of avalontoolkit support	2011-12-23 06:17:39 +00:00
Greg Landrum	c6f08a7522	add support for a diversity picker to java wrapper	2011-10-08 12:59:40 +00:00
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	acbc80ef73	sync with trunk. add inchi support to java wrapper.	2011-06-29 04:42:05 +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