Bugs item #2888510, was opened at 2009-10-28 23:24 Message generated for change (Tracker Item Submitted) made by ghutchis You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=2888510&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: 8 Private: No Submitted By: Geoff Hutchison (ghutchis) Assigned to: Geoff Hutchison (ghutchis) Summary: Formal Charge Assignment before Aromaticity Initial Comment: This is a follow-up to PR#1257827 https://sourceforge.net/tracker/?func=detail&aid=1257827&group_id=40728&atid=428740 The key problem is that formal charges should be assigned for some formats (e.g., XYZ) before aromaticity detection can occur. Many "standard" formats (e.g., SDF, SMILES) already have formal charges marked correctly, so this isn't an issue. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=2888510&group_id=40728 ------------------------------------------------------------------------------ Come build with us! The BlackBerry(R) Developer Conference in SF, CA is the only developer event you need to attend this year. Jumpstart your developing skills, take BlackBerry mobile applications to market and stay ahead of the curve. Join us from November 9 - 12, 2009. Register now! http://p.sf.net/sfu/devconference _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
