106 Commits

Author	SHA1	Message	Date
Greg Landrum	08a7315c4e	Embedder: reformatting ... Geometry: fixes to PointND and its python wrapper.	2007-07-09 05:31:32 +00:00
Santosh Putta	218032f32b	letting hydrogens in the graph be part of chiral volume calculation atoms	2006-11-30 00:24:34 +00:00
Santosh Putta	086faee1a9	changes related to chirality addition	2006-11-22 00:53:26 +00:00
Santosh Putta	2d1f48cc2a	All typedefs based on points move to point.h - dependancies updated here	2006-10-19 23:29:58 +00:00
Santosh Putta	9af1c6259b	adding option argument pruneRmsThresh to EmbedMultipleConfs to prune away similar conformations	2006-10-02 23:17:04 +00:00
Greg Landrum	75a79b6327	initial import	2006-05-06 22:20:08 +00:00