8 Commits

Author	SHA1	Message	Date
Greg Landrum	da9de0b520	Fixes #103	2013-10-18 05:41:02 +02:00
Greg Landrum	c95d57aa54	add in-place form of addHs()	2013-10-04 07:58:53 +02:00
Greg Landrum	14e396c26d	refactoring the SMILES parser to make it more efficient ... NOTE: this changes the ordering of bonds in molecules with branches.	2012-08-28 04:01:49 +00:00
Greg Landrum	28747ea745	checkin some fragment and fingerprint changes. these are not yet well tested	2011-01-14 06:24:03 +00:00
Greg Landrum	3b3d44db16	remove exe property from source files	2011-01-13 04:22:56 +00:00
Greg Landrum	f3fbef45c5	update copyright statements	2010-09-26 17:04:37 +00:00
Greg Landrum	5d03333c22	setup svn keywords (should have done this before import... grn)	2006-05-06 22:54:39 +00:00
Greg Landrum	75a79b6327	initial import	2006-05-06 22:20:08 +00:00