Bugs item #3020362, was opened at 2010-06-23 15:44 Message generated for change (Tracker Item Submitted) made by rajarshi You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3020362&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: 2.2.x Status: Open Resolution: None Priority: 5 Private: No Submitted By: Rajarshi Guha (rajarshi) Assigned to: Nobody/Anonymous (nobody) Summary: Bug or auto-protonation? Initial Comment: I am trying to convet the SDF file for Pubchem SID 26726774 (http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=26726774&loc=es_rss) to SMILES. For some reason, babel 2.2.1 converts the S=O to SH-OH moiety. Why is this happening? ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3020362&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
