Bugs item #3014776, was opened at 2010-06-11 11:37 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3014776&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: File Translation Group: 2.3.x Status: Open Resolution: None Priority: 5 Private: No Submitted By: Noel O'Boyle (baoilleach) Assigned to: Nobody/Anonymous (nobody) Summary: Writing out SDF file with placeholder B atoms segfaults Initial Comment: Test file: all-sdf.sdf available from http://ligand-expo.rcsb.org/dictionaries/all-sdf.sdf.gz The SDF entry with name starting 2c2t_39B comes from the PDB Ligand Expo and represents disorder in the structue using B atoms. This structure appears to be read correctly by OpenBabel (and Avogadro), but when writing to an SDF, OpenBabel segfaults. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3014776&group_id=40728 ------------------------------------------------------------------------------ ThinkGeek and WIRED's GeekDad team up for the Ultimate GeekDad Father's Day Giveaway. ONE MASSIVE PRIZE to the lucky parental unit. See the prize list and enter to win: http://p.sf.net/sfu/thinkgeek-promo _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
