From: <ghu...@us...> - 2007-09-10 20:17:06
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Revision: 2053 http://openbabel.svn.sourceforge.net/openbabel/?rev=2053&view=rev Author: ghutchis Date: 2007-09-10 13:16:40 -0700 (Mon, 10 Sep 2007) Log Message: ----------- * src/mol.cpp (Separate): More defensive programming to prevent crashing with incomplete OBChiralData. * src/formats/cansmilesformat.cpp: Add support for new OBPairData "canonical order" -- space terminated string of canonical atom labels. * tools/obfragment.cpp: New version which outputs XYZ files with atoms in canonical order matching the SMILES. Modified Paths: -------------- openbabel/trunk/ChangeLog openbabel/trunk/tools/obfragment.cpp This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |