Bugs item #3066755, was opened at 2010-09-15 11:51 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3066755&group_id=40728
Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: Library Functions Group: 2.3.x Status: Open Resolution: None Priority: 5 Private: No Submitted By: Noel O'Boyle (baoilleach) Assigned to: Nobody/Anonymous (nobody) Summary: Problem with SMARTS in phmodel.txt Initial Comment: I always have one info message when I run obabel: "Could not parse line in phmodel table from phmodel.txt" This arises from the azide transformation: TRANSFORM [ND2:1]=[ND2:2]=A >> [N:1]=[N+:2]=A 1E+10 # always apply transformation ...which fails to be initialised as an OBChemTsfm at line 79 of phmodel.cpp. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3066755&group_id=40728 ------------------------------------------------------------------------------ Start uncovering the many advantages of virtual appliances and start using them to simplify application deployment and accelerate your shift to cloud computing. http://p.sf.net/sfu/novell-sfdev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
