Bugs item #3121243, was opened at 2010-11-28 11:58 Message generated for change (Tracker Item Submitted) made by nobody You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3121243&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: None Group: 2.3.x Status: Open Resolution: None Priority: 5 Private: No Submitted By: Nobody/Anonymous (nobody) Assigned to: Nobody/Anonymous (nobody) Summary: cannot search for C[N+]#[C-] using FS Initial Comment: Although existing in my smi and fs prepared with 2.3.0, I cannot search for isonitriles. Error was also in 2.2.x I get: 0 candidates from fingerprint search phase Segmentation fault A simple database might look like this [C-]#[N+]CCCC(SC[N+]#[C-])SC[N+]#[C-] 1,1-bis(isocyanomethylthio)-4isocyanobutane CCC(C)(C)[N+]#[C-] 1,1-Dimethylpropylisonitril [C-]#[N+]CCCOCCOCCC[N+]#[C-] 1,2-bis-(3-isocyano-propoxy)ethane [C-]#[N+]CCCOCCOCCC[N+]#[C-] 1,2-bis-(3-isocyano-propoxy)_ethane CCCCCCCCCCCCCCCCC([N+]#[C-])C[N+]#[C-] 1,2-diisocyano-octadecane ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3121243&group_id=40728 ------------------------------------------------------------------------------ Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! Tap into the largest installed PC base & get more eyes on your game by optimizing for Intel(R) Graphics Technology. Get started today with the Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. http://p.sf.net/sfu/intelisp-dev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
