2 Commits

Author	SHA1	Message	Date
Greg Landrum	46bfbba903	make sure to convert atoms from rxn files into queries; ... add reaction depiction; add ChemicalReactionToRxnBlock(); This stuff needs more testing and so far has only been built on linux.	2010-06-17 05:57:18 +00:00
Greg Landrum	fbf3e51f07	add ability to write reactions as SMARTS; RXN files still need to be done	2010-06-07 04:26:19 +00:00