Bugs item #3086505, was opened at 2010-10-13 10:35 Message generated for change (Tracker Item Submitted) made by pascalmuller You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3086505&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: Pybel Group: 2.2.x Status: Open Resolution: None Priority: 5 Private: No Submitted By: Pascal Muller (pascalmuller) Assigned to: Noel O'Boyle (baoilleach) Summary: smarts.findall(mol) doesn't work after AddHydrogens() Initial Comment: Some smarts patterns are no more recognised after calling AddHydrogens(), like acetal, aminal and thioacetal smarts found on http://ligand-expo.rcsb.org/dictionaries/fp_patterns.txt. Other smarts, like heminal or hemiacetal, are matched before and after calling AddHydrogens(). All smarts work with obgrep. See attached file for used smarts. Message on openbabel-discuss, 2010-10-08 13:43, subject: "pybel.Smarts(which expression?)" Pascal Muller pascal.jm.mul...@gmail.com Linux 2.6.18-194.11.3.el5 (Scientific Linux 5.5) ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3086505&group_id=40728 ------------------------------------------------------------------------------ Beautiful is writing same markup. Internet Explorer 9 supports standards for HTML5, CSS3, SVG 1.1, ECMAScript5, and DOM L2 & L3. Spend less time writing and rewriting code and more time creating great experiences on the web. Be a part of the beta today. http://p.sf.net/sfu/beautyoftheweb _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
