11 Commits

Author	SHA1	Message	Date
Greg Landrum	b717f9c127	Fixes #170	2013-12-01 06:35:01 +01:00
Greg Landrum	f6517b572e	Fixes #166	2013-11-25 05:36:45 +01:00
Greg Landrum	1501af51a5	PDB reader/writer fixes; ... add MolToMolFile() to python API	2013-10-25 05:02:09 +02:00
Greg Landrum	d48eca1a66	add patch from Roger to support chirality for standard amino acids	2013-10-04 15:03:58 +02:00
Greg Landrum	937ee9f60a	add in-place form of removeHs()	2013-10-04 07:19:01 +02:00
Greg Landrum	ce17c2af5c	remove the obsolete MONOMERINFO ifdefs	2013-10-03 09:52:48 +02:00
Greg Landrum	173c53c8e4	integrate Roger's bond-perception/assignment code	2013-09-30 05:11:31 +02:00
Greg Landrum	a75b3fe0b3	add PDB input to python wrapper	2013-09-29 16:15:30 +02:00
Greg Landrum	aa81189fde	mv PDBParser.h code to FilePrasers.h	2013-09-29 15:50:32 +02:00
Greg Landrum	dc443ddb96	add some preconditions	2013-09-29 15:37:06 +02:00
Greg Landrum	4c355c089b	First pass commit from Roger	2013-09-29 15:14:48 +02:00